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PubChem-SMILES-SELFIES-InChI-IUPAC-v3

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CID
int64
301
178M
SMILES
stringlengths
4
2.14k
SMILES_Canonical
stringlengths
4
1.97k
SELFIES
stringlengths
7
6.84k
inchi
stringlengths
13
2.4k
iupac
stringlengths
5
1.91k
⌀
formula
stringlengths
2
28
image_source
stringclasses
1 value
image_1
imagewidth (px)
400
400
image_2
imagewidth (px)
400
400
image_3
imagewidth (px)
400
400
42,507,822
C1CO[C@@H](CN1C(=O)CN2C=CC=N2)CC3=CC(=CC=C3)C(F)(F)F
O=C(Cn1cccn1)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1
[O][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][C][O][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring1][P]
InChI=1S/C17H18F3N3O2/c18-17(19,20)14-4-1-3-13(9-14)10-15-11-22(7-8-25-15)16(24)12-23-6-2-5-21-23/h1-6,9,15H,7-8,10-12H2/t15-/m1/s1
2-pyrazol-1-yl-1-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone
C17H18F3N3O2
InChI
105,871,444
CNC1CCCN(C1=O)C2CCC(C2)SC
CNC1CCCN(C2CCC(SC)C2)C1=O
[C][N][C][C][C][C][N][Branch1][N][C][C][C][C][Branch1][Ring1][S][C][C][Ring1][#Branch1][C][Ring1][=N][=O]
InChI=1S/C12H22N2OS/c1-13-11-4-3-7-14(12(11)15)9-5-6-10(8-9)16-2/h9-11,13H,3-8H2,1-2H3
3-(methylamino)-1-(3-methylsulfanylcyclopentyl)piperidin-2-one
C12H22N2OS
InChI
4,208,407
CC1=CC=CC=C1C(=O)N(CC=C)CC(=O)N(CC2=CC=CN2C)CC(C)C
C=CCN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)c1ccccc1C
[C][=C][C][N][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
InChI=1S/C23H31N3O2/c1-6-13-25(23(28)21-12-8-7-10-19(21)4)17-22(27)26(15-18(2)3)16-20-11-9-14-24(20)5/h6-12,14,18H,1,13,15-17H2,2-5H3
2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide
C23H31N3O2
InChI
99,705,722
CCN(CC)C1=NC=C(C=C1)C(=O)N2CCCC[C@H]2C(=O)O
CCN(CC)c1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cn1
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][P]
InChI=1S/C16H23N3O3/c1-3-18(4-2)14-9-8-12(11-17-14)15(20)19-10-6-5-7-13(19)16(21)22/h8-9,11,13H,3-7,10H2,1-2H3,(H,21,22)/t13-/m0/s1
(2S)-1-[6-(diethylamino)pyridine-3-carbonyl]piperidine-2-carboxylic acid
C16H23N3O3
InChI
156,546,618
CC1=CN2C(CC=N2)C(=C1)SC
CSC1=CC(C)=CN2N=CCC12
[C][S][C][=C][C][Branch1][C][C][=C][N][N][=C][C][C][Ring1][#Branch2][Ring1][Branch1]
InChI=1S/C9H12N2S/c1-7-5-9(12-2)8-3-4-10-11(8)6-7/h4-6,8H,3H2,1-2H3
6-methyl-4-methylsulfanyl-3,3a-dihydropyrazolo[1,5-a]pyridine
C9H12N2S
InChI
171,641,437
CN1C=NN=C1CC2(COC2)C3=CC(=CC=C3)N4CC5=C(C4=O)C=C(C=C5C(F)(F)F)N6CCC(CC6)COCCO
Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(N5CCC(COCCO)CC5)cc4C(F)(F)F)C3=O)c2)COC1
[C][N][C][=N][N][=C][Ring1][Branch1][C][C][Branch2][Branch1][Branch2][C][=C][C][=C][C][Branch2][Ring2][N][N][C][C][=C][Branch2][Ring1][S][C][=C][Branch1][S][N][C][C][C][Branch1][=Branch1][C][O][C][C][O][C][C][Ring1][O][C][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Branch2][=O][=C][Ring2][Ring1][#C][C][O][C][Ring2][Ring2][Ring1]
InChI=1S/C30H34F3N5O4/c1-36-19-34-35-27(36)14-29(17-42-18-29)21-3-2-4-22(11-21)38-15-25-24(28(38)40)12-23(13-26(25)30(31,32)33)37-7-5-20(6-8-37)16-41-10-9-39/h2-4,11-13,19-20,39H,5-10,14-18H2,1H3
6-[4-(2-hydroxyethoxymethyl)piperidin-1-yl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
C30H34F3N5O4
InChI
489,450
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=C(C=C4N3)OC)F
COc1cc2[nH]c(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)cc2cc1F
[C][O][C][=C][C][NH1][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][C][C][C][Ring1][S][=C][C][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][F]
InChI=1S/C22H26FN5O2/c1-14(2)25-17-5-4-6-24-21(17)27-7-9-28(10-8-27)22(29)19-12-15-11-16(23)20(30-3)13-18(15)26-19/h4-6,11-14,25-26H,7-10H2,1-3H3
(5-fluoro-6-methoxy-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
C22H26FN5O2
InChI
117,986,691
CN1C(=O)N(N=N1)C2=C(C(=CC=C2)Cl)COO
Cn1nnn(-c2cccc(Cl)c2COO)c1=O
[C][N][N][=N][N][Branch1][#C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][O][O][C][Ring1][#C][=O]
InChI=1S/C9H9ClN4O3/c1-13-9(15)14(12-11-13)8-4-2-3-7(10)6(8)5-17-16/h2-4,16H,5H2,1H3
1-[3-chloro-2-(hydroperoxymethyl)phenyl]-4-methyltetrazol-5-one
C9H9ClN4O3
InChI
170,170,778
C1=C(C(=C(C(=C1Br)F)Cl)O)N
Nc1cc(Br)c(F)c(Cl)c1O
[N][C][=C][C][Branch1][C][Br][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][O]
InChI=1S/C6H4BrClFNO/c7-2-1-3(10)6(11)4(8)5(2)9/h1,11H,10H2
6-amino-4-bromo-2-chloro-3-fluorophenol
C6H4BrClFNO
InChI
160,411,378
CC1(C[S+](CC(C#C1)(C)C)CC2=CC=C(C=C2)C#CC#N)C.CC1(C[S+](CC(C#C1)(C)C)CC2=CN(N=N2)C3=CC=C(C=C3)C#CC#N)C.C1=CC(=CC=C1C#CC#N)N=[N+]=N
CC1(C)C#CC(C)(C)C[S+](Cc2ccc(C#CC#N)cc2)C1.CC1(C)C#CC(C)(C)C[S+](Cc2cn(-c3ccc(C#CC#N)cc3)nn2)C1.N#CC#Cc1ccc(N=[N+]=N)cc1
[C][C][Branch1][C][C][C][#C][C][Branch1][C][C][Branch1][C][C][C][S+1][Branch1][S][C][C][=C][C][=C][Branch1][Branch1][C][#C][C][#N][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1].[C][C][Branch1][C][C][C][#C][C][Branch1][C][C][Branch1][C][C][C][S+1][Branch2][Ring1][=Branch2][C][C][=C][N][Branch1][#C][C][=C][C][=C][Branch1][Branch1][C][#C][C][#N][C][=C][Ring1][#Branch2][N][=N][Ring1][#C][C][Ring2][Ring1][#Branch2].[N][#C][C][#C][C][=C][C][=C][Branch1][Ring2][N][=N+1][=N][C][=C][Ring1][=Branch2]
InChI=1S/C22H23N4S.C20H22NS.C9H5N4/c1-21(2)11-12-22(3,4)17-27(16-21)15-19-14-26(25-24-19)20-9-7-18(8-10-20)6-5-13-23;1-19(2)11-12-20(3,4)16-22(15-19)14-18-9-7-17(8-10-18)6-5-13-21;10-7-1-2-8-3-5-9(6-4-8)12-13-11/h7-10,14H,15-17H2,1-4H3;7-10H,14-16H2,1-4H3;3-6,11H/q3*+1
[4-(2-cyanoethynyl)phenyl]imino-iminoazanium;3-[4-[(3,3,6,6-tetramethyl-1-thioniacyclohept-4-yn-1-yl)methyl]phenyl]prop-2-ynenitrile;3-[4-[4-[(3,3,6,6-tetramethyl-1-thioniacyclohept-4-yn-1-yl)methyl]triazol-1-yl]phenyl]prop-2-ynenitrile
C51H50N9S2+3
InChI
4,537,627
COC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)CC4=CC=CS4)CCC5=CC=CC=C5
COc1ccccc1N1CCN(Cn2nc(Cc3cccs3)n(CCc3ccccc3)c2=S)CC1
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][P][C][N][N][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=S][C][C][Ring2][Ring1][O]
InChI=1S/C27H31N5OS2/c1-33-25-12-6-5-11-24(25)30-17-15-29(16-18-30)21-32-27(34)31(14-13-22-8-3-2-4-9-22)26(28-32)20-23-10-7-19-35-23/h2-12,19H,13-18,20-21H2,1H3
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-(2-phenylethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione
C27H31N5OS2
InChI
80,350,994
CN(CCC(=O)O)C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
CN(CCC(=O)O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]
[C][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]
InChI=1S/C10H10Cl2N2O4/c1-13(3-2-10(15)16)8-4-6(11)7(12)5-9(8)14(17)18/h4-5H,2-3H2,1H3,(H,15,16)
3-(4,5-dichloro-N-methyl-2-nitroanilino)propanoic acid
C10H10Cl2N2O4
InChI
130,218,218
CCN(C1=CC=CC=C1)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)OCC(=O)OC[C@@H](C(=O)O)N
CCN(C(=O)c1c(OCC(=O)OC[C@H](N)C(=O)O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
[C][C][N][Branch2][Ring2][#C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C24H24ClN3O7/c1-3-28(14-8-5-4-6-9-14)23(31)20-21(35-13-18(29)34-12-16(26)24(32)33)19-15(25)10-7-11-17(19)27(2)22(20)30/h4-11,16H,3,12-13,26H2,1-2H3,(H,32,33)/t16-/m0/s1
(2S)-2-amino-3-[2-[5-chloro-3-[ethyl(phenyl)carbamoyl]-1-methyl-2-oxoquinolin-4-yl]oxyacetyl]oxypropanoic acid
C24H24ClN3O7
InChI
63,934,987
CC(C)NCC1=CC(=C(C=C1)OC)OC2CCOCC2
COc1ccc(CNC(C)C)cc1OC1CCOCC1
[C][O][C][=C][C][=C][Branch1][Branch2][C][N][C][Branch1][C][C][C][C][=C][Ring1][O][O][C][C][C][O][C][C][Ring1][=Branch1]
InChI=1S/C16H25NO3/c1-12(2)17-11-13-4-5-15(18-3)16(10-13)20-14-6-8-19-9-7-14/h4-5,10,12,14,17H,6-9,11H2,1-3H3
N-[[4-methoxy-3-(oxan-4-yloxy)phenyl]methyl]propan-2-amine
C16H25NO3
InChI
176,561,126
CCCCCC(C(C)C)C(C)(C)C1=CC(=C(C(=C1)OC)C2C=C(C3C[C@@H]2C3(C)C)CO)OC
CCCCCC(C(C)C)C(C)(C)c1cc(OC)c(C2C=C(CO)C3C[C@@H]2C3(C)C)c(OC)c1
[C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][Ring2][C][C][=C][Branch1][Ring1][C][O][C][C][C@@H1][Ring1][Branch2][C][Ring1][Ring2][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1]
InChI=1S/C30H48O3/c1-10-11-12-13-23(19(2)3)29(4,5)21-15-26(32-8)28(27(16-21)33-9)22-14-20(18-31)24-17-25(22)30(24,6)7/h14-16,19,22-25,31H,10-13,17-18H2,1-9H3/t22?,23?,24?,25-/m0/s1
[(5S)-4-[2,6-dimethoxy-4-(2-methyl-3-propan-2-yloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
C30H48O3
InChI
64,975,999
CNC1CCCC2=C1N=C(S2)C3=CC=C(C=C3)N(C)C
CNC1CCCc2sc(-c3ccc(N(C)C)cc3)nc21
[C][N][C][C][C][C][C][S][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][C][=Ring1][=C][Ring2][Ring1][C]
InChI=1S/C16H21N3S/c1-17-13-5-4-6-14-15(13)18-16(20-14)11-7-9-12(10-8-11)19(2)3/h7-10,13,17H,4-6H2,1-3H3
2-[4-(dimethylamino)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
C16H21N3S
InChI
92,119,359
C1C(CN1S(=O)(=O)C2=CC=CS2)N3C=C(N=N3)CN4N=CC=N4
O=S(=O)(c1cccs1)N1CC(n2cc(Cn3nccn3)nn2)C1
[O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][N][N][=C][C][=N][Ring1][Branch1][N][=N][Ring1][O][C][Ring1][#C]
InChI=1S/C12H13N7O2S2/c20-23(21,12-2-1-5-22-12)17-8-11(9-17)18-6-10(15-16-18)7-19-13-3-4-14-19/h1-6,11H,7-9H2
1-(1-thiophen-2-ylsulfonylazetidin-3-yl)-4-(triazol-2-ylmethyl)triazole
C12H13N7O2S2
InChI
112,981,407
C1CC1C(=O)NC2=CC=C(C=C2)NCCN3CCOCC3
O=C(Nc1ccc(NCCN2CCOCC2)cc1)C1CC1
[O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][C][C][Ring1][Ring1]
InChI=1S/C16H23N3O2/c20-16(13-1-2-13)18-15-5-3-14(4-6-15)17-7-8-19-9-11-21-12-10-19/h3-6,13,17H,1-2,7-12H2,(H,18,20)
N-[4-(2-morpholin-4-ylethylamino)phenyl]cyclopropanecarboxamide
C16H23N3O2
InChI
135,506,376
CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)NC(CCCCN)C(=O)O)F)OC4=C(C=CC(=C4)C(=N)N)O
CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C(=N)N)ccc3O)c(F)c(NC(CCCCN)C(=O)O)c2F)c1
[C][N][C][C][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch2][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][C][=C][Ring1][=Branch2][O][=C][Branch1][C][F][C][Branch1][#C][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O][=C][Ring2][Ring1][N][F][=C][Ring2][Ring2][Ring2]
InChI=1S/C28H31F2N7O5/c1-37-12-11-34-25(37)16-5-4-6-17(13-16)41-26-21(29)23(35-18(28(39)40)7-2-3-10-31)22(30)27(36-26)42-20-14-15(24(32)33)8-9-19(20)38/h4-6,8-9,13-14,18,38H,2-3,7,10-12,31H2,1H3,(H3,32,33)(H,35,36)(H,39,40)
6-amino-2-[[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]amino]hexanoic acid
C28H31F2N7O5
InChI
123,218,038
C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](C(/C=C(/C(=O)C[C@H](OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)\C)C)O)OC)C)C)C)OC
CO[C@H]1C[C@@H]2CC[C@@H](C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OP(C)(C)=O)[C@H](OC)C2)CC(=O)/C(C)=C/C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C1C
[C][O][C@H1][C][C@@H1][C][C][C@@H1][Branch1][C][C][C][Branch1][C][O][Branch1][Ring2][O][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][=N][C@H1][Branch1][C][C][C][C@@H1][C][C][C@@H1][Branch1][#Branch2][O][P][Branch1][C][C][Branch1][C][C][=O][C@H1][Branch1][Ring1][O][C][C][Ring1][=N][C][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring2][=Branch1][C][C]
InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,35-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13?,18-14?,33-19?,34-27+/t32-,35-,36-,37?,38-,39+,40+,41?,43-,44+,45+,46-,48-,49+,53?/m1/s1
(12S,15E,18R,19R,21R,23S,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-dimethylphosphoryloxy-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-15,24,26,28-tetraene-2,3,10,14,20-pentone
C53H84NO14P
InChI
60,664,572
C1=CN(C=N1)CCNCC2=CC=C(O2)Cl
Clc1ccc(CNCCn2ccnc2)o1
[Cl][C][=C][C][=C][Branch1][N][C][N][C][C][N][C][=C][N][=C][Ring1][Branch1][O][Ring1][=C]
InChI=1S/C10H12ClN3O/c11-10-2-1-9(15-10)7-12-3-5-14-6-4-13-8-14/h1-2,4,6,8,12H,3,5,7H2
N-[(5-chlorofuran-2-yl)methyl]-2-imidazol-1-ylethanamine
C10H12ClN3O
InChI
2,734,908
CP(C1=CC=CC=C1)C2=CC=CC=C2.CP(C1=CC=CC=C1)C2=CC=CC=C2.C1CC=CCCC=C1.F[P-](F)(F)(F)(F)F.[Ir]
C1=CCCC=CCC1.CP(c1ccccc1)c1ccccc1.CP(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.[Ir]
[C][=C][C][C][C][=C][C][C][Ring1][Branch2].[C][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[C][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[F][P-1][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F].[Ir]
InChI=1S/2C13H13P.C8H12.F6P.Ir/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h2*2-11H,1H3;1-2,7-8H,3-6H2;;/q;;;-1;
cycloocta-1,5-diene;iridium;bis(methyl(diphenyl)phosphane);hexafluorophosphate
C34H38F6IrP3-
InChI
62,824,624
CC1=NC=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)O
Cc1ccc(C(=O)N2CCCN(CC(=O)O)CC2)cn1
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring1][O][C][=N][Ring2][Ring1][Ring1]
InChI=1S/C14H19N3O3/c1-11-3-4-12(9-15-11)14(20)17-6-2-5-16(7-8-17)10-13(18)19/h3-4,9H,2,5-8,10H2,1H3,(H,18,19)
2-[4-(6-methylpyridine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
C14H19N3O3
InChI
82,342,501
CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)OC(C)C)N
Cc1nc(NC(=O)c2ccc(OC(C)C)cc2)sc1N
[C][C][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring2][Ring1][C][N]
InChI=1S/C14H17N3O2S/c1-8(2)19-11-6-4-10(5-7-11)13(18)17-14-16-9(3)12(15)20-14/h4-8H,15H2,1-3H3,(H,16,17,18)
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
C14H17N3O2S
InChI
159,714,136
CCCC1=CC(=C(C(=C1)N2C3=C(C=C(C=C3)C)C4=C2C=CC(=C4)C)O)C5=C(C=CC(=C5)F)OCCCOC6=C(C=C(C=C6)F)C7=C(C(=CC(=C7)CCC)N8C9=C(C=C(C=C9)C)C1=C8C=CC(=C1)C)O
CCCc1cc(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(CCC)cc(-n3c4ccc(C)cc4c4cc(C)ccc43)c2O)c(O)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1
[C][C][C][C][=C][C][Branch2][=Branch1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][Ring2][C][C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][#C][=C][Ring2][Ring1][Branch2][O][=C][Branch1][C][O][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][#C][=C][Ring2][=Branch1][C]
InChI=1S/C61H56F2N2O4/c1-7-10-40-30-50(60(66)56(32-40)64-52-18-12-36(3)26-44(52)45-27-37(4)13-19-53(45)64)48-34-42(62)16-22-58(48)68-24-9-25-69-59-23-17-43(63)35-49(59)51-31-41(11-8-2)33-57(61(51)67)65-54-20-14-38(5)28-46(54)47-29-39(6)15-21-55(47)65/h12-23,26-35,66-67H,7-11,24-25H2,1-6H3
2-(3,6-dimethylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-dimethylcarbazol-9-yl)-2-hydroxy-5-propylphenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-propylphenol
C61H56F2N2O4
InChI
142,659,152
C1=CC=C(C=C1)OC2=CC=C(C=C2)C=CC3=C(C(=O)C3=O)N
Nc1c(C=Cc2ccc(Oc3ccccc3)cc2)c(=O)c1=O
[N][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=O]
InChI=1S/C18H13NO3/c19-16-15(17(20)18(16)21)11-8-12-6-9-14(10-7-12)22-13-4-2-1-3-5-13/h1-11H,19H2
3-amino-4-[2-(4-phenoxyphenyl)ethenyl]cyclobut-3-ene-1,2-dione
C18H13NO3
InChI
22,104,522
CC1=CC2=C(C=C1C)C(=O)C(CC2)CC(=O)O
Cc1cc2c(cc1C)C(=O)C(CC(=O)O)CC2
[C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring1][=C]
InChI=1S/C14H16O3/c1-8-5-10-3-4-11(7-13(15)16)14(17)12(10)6-9(8)2/h5-6,11H,3-4,7H2,1-2H3,(H,15,16)
2-(6,7-dimethyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
C14H16O3
InChI
23,651,218
CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2I)C(=O)OC
COC(=O)c1cn(C(=O)OC(C)(C)C)c2cccc(I)c12
[C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][P][Ring1][#Branch1]
InChI=1S/C15H16INO4/c1-15(2,3)21-14(19)17-8-9(13(18)20-4)12-10(16)6-5-7-11(12)17/h5-8H,1-4H3
1-O-tert-butyl 3-O-methyl 4-iodoindole-1,3-dicarboxylate
C15H16INO4
InChI
45,547,305
CCCCC(=O)N1CCC(CC1)CN2C=NC3=CC=CC=C32
CCCCC(=O)N1CCC(Cn2cnc3ccccc32)CC1
[C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][S]
InChI=1S/C18H25N3O/c1-2-3-8-18(22)20-11-9-15(10-12-20)13-21-14-19-16-6-4-5-7-17(16)21/h4-7,14-15H,2-3,8-13H2,1H3
1-[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
C18H25N3O
InChI
279,007
CC1=CC=C(C=C1)N(C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C(=O)C
CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(C)cc1
[C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
InChI=1S/C19H14ClNO3/c1-11-7-9-13(10-8-11)21(12(2)22)17-16(20)18(23)14-5-3-4-6-15(14)19(17)24/h3-10H,1-2H3
N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-(4-methylphenyl)acetamide
C19H14ClNO3
InChI
54,965,045
CC1=CC(=C(C=C1)NC(C)C2=CC=CC=C2C)N
Cc1ccc(NC(C)c2ccccc2C)c(N)c1
[C][C][=C][C][=C][Branch1][#C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][N][=C][Ring1][P]
InChI=1S/C16H20N2/c1-11-8-9-16(15(17)10-11)18-13(3)14-7-5-4-6-12(14)2/h4-10,13,18H,17H2,1-3H3
4-methyl-1-N-[1-(2-methylphenyl)ethyl]benzene-1,2-diamine
C16H20N2
InChI
56,589,826
COC1=C2CC(C2=C(C3=C1CC3(OC)OC)OC)(OC)OC
COc1c2c(c(OC)c3c1CC3(OC)OC)C(OC)(OC)C2
[C][O][C][=C][C][=Branch2][Ring1][Ring2][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][Ring2][Branch1][Ring1][O][C][O][C][C][Branch1][Ring1][O][C][Branch1][Ring1][O][C][C][Ring2][Ring1][Ring1]
InChI=1S/C16H22O6/c1-17-13-9-7-15(19-3,20-4)11(9)14(18-2)12-10(13)8-16(12,21-5)22-6/h7-8H2,1-6H3
2,4,4,7,10,10-hexamethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene
C16H22O6
InChI
123,990,465
CCC(C)CC(C)C(C)CC(C)C(C)C
CCC(C)CC(C)C(C)CC(C)C(C)C
[C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Branch1][C][C][C]
InChI=1S/C15H32/c1-8-12(4)9-14(6)15(7)10-13(5)11(2)3/h11-15H,8-10H2,1-7H3
2,3,5,6,8-pentamethyldecane
C15H32
InChI
157,587,218
CC(=C)C(C1=CC=CC(=C1)C2=CC3=NC=CC(=C3C=C2)OCC4=NN=C5N4N=C(C=C5)C6=CC=CC=C6)O.C1CN(CCC1OC2=CC3=NC=CC(=C3C=C2)OCC4=NN=C5N4N=C(C=C5)C6=CC=CC=C6)C(=O)C7=CN=C(N=C7F)F.C(=O)=O
C=C(C)C(O)c1cccc(-c2ccc3c(OCc4nnc5ccc(-c6ccccc6)nn45)ccnc3c2)c1.O=C(c1cnc(F)nc1F)N1CCC(Oc2ccc3c(OCc4nnc5ccc(-c6ccccc6)nn45)ccnc3c2)CC1.O=C=O
[C][=C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][=N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=N][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][#C][Ring1][N][=C][C][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][=C][Ring2][Ring1][P].[O][=C][Branch1][=N][C][=C][N][=C][Branch1][C][F][N][=C][Ring1][#Branch1][F][N][C][C][C][Branch2][Ring2][=C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=N][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][#C][Ring1][N][=C][C][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][C][C][Ring2][Ring2][C].[O][=C][=O]
InChI=1S/C31H24F2N8O3.C31H25N5O2.CO2/c32-29-23(17-35-31(33)36-29)30(42)40-14-11-20(12-15-40)44-21-6-7-22-25(16-21)34-13-10-26(22)43-18-28-38-37-27-9-8-24(39-41(27)28)19-4-2-1-3-5-19;1-20(2)31(37)24-10-6-9-22(17-24)23-11-12-25-27(18-23)32-16-15-28(25)38-19-30-34-33-29-14-13-26(35-36(29)30)21-7-4-3-5-8-21;2-1-3/h1-10,13,16-17,20H,11-12,14-15,18H2;3-18,31,37H,1,19H2,2H3;
carbon dioxide;(2,4-difluoropyrimidin-5-yl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxypiperidin-1-yl]methanone;2-methyl-1-[3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]phenyl]prop-2-en-1-ol
C63H49F2N13O7
InChI
108,459,044
C1CCC2CN(CC2C1)C(=O)C3=CC=C(C=C3)N4C=CC=C4
O=C(c1ccc(-n2cccc2)cc1)N1CC2CCCCC2C1
[O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=Branch2]
InChI=1S/C19H22N2O/c22-19(21-13-16-5-1-2-6-17(16)14-21)15-7-9-18(10-8-15)20-11-3-4-12-20/h3-4,7-12,16-17H,1-2,5-6,13-14H2
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(4-pyrrol-1-ylphenyl)methanone
C19H22N2O
InChI
155,241,285
CCCC(C/C(=C\C)/C)C=NC1=CC(=C(C=C1C(=O)C)OC)OCCCCCOC2=C(C=C(C(=C2)C)C(=C3CCC3)C)OC
C/C=C(/C)CC(C=Nc1cc(OCCCCCOc2cc(C)c(C(C)=C3CCC3)cc2OC)c(OC)cc1C(C)=O)CCC
[C][/C][=C][Branch1][C][/C][C][C][Branch2][Branch1][Branch2][C][=N][C][=C][C][Branch2][Ring1][P][O][C][C][C][C][C][O][C][=C][C][Branch1][C][C][=C][Branch1][O][C][Branch1][C][C][=C][C][C][C][Ring1][Ring2][C][=C][Ring1][=N][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=C][C][Branch1][C][C][=O][C][C][C]
InChI=1S/C38H53NO5/c1-9-15-30(20-26(3)10-2)25-39-34-24-38(36(42-8)23-33(34)29(6)40)44-19-13-11-12-18-43-37-21-27(4)32(22-35(37)41-7)28(5)31-16-14-17-31/h10,21-25,30H,9,11-20H2,1-8H3/b26-10-,39-25?
1-[4-[5-[4-(1-cyclobutylideneethyl)-2-methoxy-5-methylphenoxy]pentoxy]-5-methoxy-2-[[(Z)-4-methyl-2-propylhex-4-enylidene]amino]phenyl]ethanone
C38H53NO5
InChI
5,144,408
CC1=CC=C(C=C1)C(C(N2C3=CC=CC=C3N=N2)OC4=CC=CC=C4)O
Cc1ccc(C(O)C(Oc2ccccc2)n2nnc3ccccc32)cc1
[C][C][=C][C][=C][Branch2][Ring1][=C][C][Branch1][C][O][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch2]
InChI=1S/C21H19N3O2/c1-15-11-13-16(14-12-15)20(25)21(26-17-7-3-2-4-8-17)24-19-10-6-5-9-18(19)22-23-24/h2-14,20-21,25H,1H3
2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenoxyethanol
C21H19N3O2
InChI
116,917,411
CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)NC)F
CNc1ccc(C(=O)c2ccc(F)c(C)c2)cc1
[C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring1][S]
InChI=1S/C15H14FNO/c1-10-9-12(5-8-14(10)16)15(18)11-3-6-13(17-2)7-4-11/h3-9,17H,1-2H3
(4-fluoro-3-methylphenyl)-[4-(methylamino)phenyl]methanone
C15H14FNO
InChI
160,940,595
C.C1[C@@H]([C@H](N(C1=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C4=CC=C(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)CCC[C@H](C6=CC=C(C=C6)F)O.C1[C@@H]([C@H](N(C1=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C4=CC=C(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)CCCC(C6=CC=C(C=C6)F)O.C1C(C(N(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)O)CCC(C4=CC=C(C=C4)F)O
C.O=C1CC(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1.O=C1C[C@H](CCCC(O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)N1c1ccccc1.O=C1C[C@H](CCC[C@@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc2O)N1c1ccccc1
[C].[O][=C][C][C][Branch2][Ring1][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[O][=C][C][C@H1][Branch2][Ring1][Ring1][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][N][Ring2][Ring2][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][C][C@H1][Branch2][Ring1][Ring1][C][C][C][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][N][Ring2][Ring2][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/2C38H40FNO8.C25H23F2NO3.CH4/c2*39-27-16-13-23(14-17-27)30(42)8-4-5-26-20-33(44)40(28-6-2-1-3-7-28)34(26)29-18-15-25(19-31(29)43)22-9-11-24(12-10-22)38-37(47)36(46)35(45)32(21-41)48-38;26-19-6-1-16(2-7-19)23(30)14-5-18-15-24(31)28(21-10-8-20(27)9-11-21)25(18)17-3-12-22(29)13-4-17;/h2*1-3,6-7,9-19,26,30,32,34-38,41-43,45-47H,4-5,8,20-21H2;1-4,6-13,18,23,25,29-30H,5,14-15H2;1H4/t26-,30?,32+,34-,35+,36-,37+,38-;26-,30+,32+,34-,35+,36-,37+,38-;;/m00../s1
1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-(4-hydroxyphenyl)pyrrolidin-2-one;(4S,5S)-4-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylpyrrolidin-2-one;(4S,5S)-4-[4-(4-fluorophenyl)-4-hydroxybutyl]-5-[2-hydroxy-4-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-1-phenylpyrrolidin-2-one;methane
C102H107F4N3O19
InChI
103,058,400
CCNC1=NC=C(N=C1)COCC2CCCO2
CCNc1cnc(COCC2CCCO2)cn1
[C][C][N][C][=C][N][=C][Branch1][O][C][O][C][C][C][C][C][O][Ring1][Branch1][C][=N][Ring1][=C]
InChI=1S/C12H19N3O2/c1-2-13-12-7-14-10(6-15-12)8-16-9-11-4-3-5-17-11/h6-7,11H,2-5,8-9H2,1H3,(H,13,15)
N-ethyl-5-(oxolan-2-ylmethoxymethyl)pyrazin-2-amine
C12H19N3O2
InChI
69,680,872
CCCCCCCC/C=C\CCCCCCCCC1=CC=CC=C1C(=O)O
CCCCCCCC/C=C\CCCCCCCCc1ccccc1C(=O)O
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25(26)27/h9-10,18-19,21-22H,2-8,11-17,20H2,1H3,(H,26,27)/b10-9-
2-[(Z)-octadec-9-enyl]benzoic acid
C25H40O2
InChI
105,117,424
CCCNC(CCOCCC)CC1=C(C=C(C=C1)F)F
CCCNC(CCOCCC)Cc1ccc(F)cc1F
[C][C][C][N][C][Branch1][#Branch1][C][C][O][C][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
InChI=1S/C16H25F2NO/c1-3-8-19-15(7-10-20-9-4-2)11-13-5-6-14(17)12-16(13)18/h5-6,12,15,19H,3-4,7-11H2,1-2H3
1-(2,4-difluorophenyl)-4-propoxy-N-propylbutan-2-amine
C16H25F2NO
InChI
46,390,347
CC1=CC=C(C=C1)COCC2=NN(C3=C2CN(CC3)S(=O)(=O)C4=CC=C(S4)Cl)C
Cc1ccc(COCc2nn(C)c3c2CN(S(=O)(=O)c2ccc(Cl)s2)CC3)cc1
[C][C][=C][C][=C][Branch2][Ring2][Branch2][C][O][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][N]
InChI=1S/C20H22ClN3O3S2/c1-14-3-5-15(6-4-14)12-27-13-17-16-11-24(10-9-18(16)23(2)22-17)29(25,26)20-8-7-19(21)28-20/h3-8H,9-13H2,1-2H3
5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
C20H22ClN3O3S2
InChI
91,937,477
CCN1C(=CC2=C1C=C(C=C2)Cl)CN(C3=C(C4=CC=CC=C4C=N3)C)S(=O)(=O)C5=CC=C(C=C5)C(=O)O
CCn1c(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)O)cc2)cc2ccc(Cl)cc21
[C][C][N][C][Branch2][Ring2][#Branch2][C][N][Branch1][S][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring2][Ring1]
InChI=1S/C28H24ClN3O4S/c1-3-31-23(14-20-8-11-22(29)15-26(20)31)17-32(27-18(2)25-7-5-4-6-21(25)16-30-27)37(35,36)24-12-9-19(10-13-24)28(33)34/h4-16H,3,17H2,1-2H3,(H,33,34)
4-[(6-chloro-1-ethylindol-2-yl)methyl-(4-methylisoquinolin-3-yl)sulfamoyl]benzoic acid
C28H24ClN3O4S
InChI
123,774,864
CC(C)[SiH](C)OC
CO[SiH](C)C(C)C
[C][O][SiH1][Branch1][C][C][C][Branch1][C][C][C]
InChI=1S/C5H14OSi/c1-5(2)7(4)6-3/h5,7H,1-4H3
methoxy-methyl-propan-2-ylsilane
C5H14OSi
InChI
121,413,358
C1CNCCC1C(=O)N(CCOC2=CC=CC=C2)[C@@H](C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl
O=C(C1CCNCC1)N(CCOc1ccccc1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1
[O][=C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI=1S/C27H28ClFN2O2/c28-23-10-6-20(7-11-23)26(21-8-12-24(29)13-9-21)31(27(32)22-14-16-30-17-15-22)18-19-33-25-4-2-1-3-5-25/h1-13,22,26,30H,14-19H2/t26-/m1/s1
N-[(S)-(4-chlorophenyl)-(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
C27H28ClFN2O2
InChI
59,068,026
[N-]=O.[V].[V].[V].[V].[V].[V].[V].[V].[V]
[N-]=O.[V].[V].[V].[V].[V].[V].[V].[V].[V]
[N-1][=O].[V].[V].[V].[V].[V].[V].[V].[V].[V]
InChI=1S/NO.9V/c1-2;;;;;;;;;/q-1;;;;;;;;;
nitroxyl anion;nonakis(vanadium)
NOV9-
InChI
107,488,931
CC1=C(C=CC(=C1)F)CN(CCCl)CC(F)(F)F
Cc1cc(F)ccc1CN(CCCl)CC(F)(F)F
[C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][N][Branch1][Ring2][C][C][Cl][C][C][Branch1][C][F][Branch1][C][F][F]
InChI=1S/C12H14ClF4N/c1-9-6-11(14)3-2-10(9)7-18(5-4-13)8-12(15,16)17/h2-3,6H,4-5,7-8H2,1H3
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
C12H14ClF4N
InChI
108,178,846
CC1=C(C=CC(=N1)Cl)NC2CCCC(CC2)C(C)(C)C
Cc1nc(Cl)ccc1NC1CCCC(C(C)(C)C)CC1
[C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][O]
InChI=1S/C17H27ClN2/c1-12-15(10-11-16(18)19-12)20-14-7-5-6-13(8-9-14)17(2,3)4/h10-11,13-14,20H,5-9H2,1-4H3
N-(4-tert-butylcycloheptyl)-6-chloro-2-methylpyridin-3-amine
C17H27ClN2
InChI
66,121,921
CCC1=NN(C(=C1)C(=O)N2CCCCC2CCO)C
CCc1cc(C(=O)N2CCCCC2CCO)n(C)n1
[C][C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][O][N][Branch1][C][C][N][=Ring1][P]
InChI=1S/C14H23N3O2/c1-3-11-10-13(16(2)15-11)14(19)17-8-5-4-6-12(17)7-9-18/h10,12,18H,3-9H2,1-2H3
(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
C14H23N3O2
InChI
105,211,155
C1C(C2=CC=CC=C21)CC(C3=CC=CC=C3Cl)NN
NNC(CC1Cc2ccccc21)c1ccccc1Cl
[N][N][C][Branch1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI=1S/C16H17ClN2/c17-15-8-4-3-7-14(15)16(19-18)10-12-9-11-5-1-2-6-13(11)12/h1-8,12,16,19H,9-10,18H2
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-chlorophenyl)ethyl]hydrazine
C16H17ClN2
InChI
87,474,060
C[C@H](CN1N=CN=N1)N2C(=O)C3=C(C=C4C(=C3)N=NN(C4=O)CCF)N=N2
C[C@H](Cn1ncnn1)n1nnc2cc3c(=O)n(CCF)nnc3cc2c1=O
[C][C@H1][Branch1][=Branch2][C][N][N][=C][N][=N][Ring1][Branch1][N][N][=N][C][=C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][F][N][=N][C][=Ring1][#Branch2][C][=C][Ring1][=C][C][Ring2][Ring1][C][=O]
InChI=1S/C14H13FN10O2/c1-8(6-24-17-7-16-20-24)25-14(27)10-5-11-9(4-12(10)19-22-25)13(26)23(3-2-15)21-18-11/h4-5,7-8H,2-3,6H2,1H3/t8-/m1/s1
8-(2-fluoroethyl)-3-[(2R)-1-(tetrazol-2-yl)propan-2-yl]triazino[4,5-g][1,2,3]benzotriazine-4,9-dione
C14H13FN10O2
InChI
146,458,690
CC(C)N1C=NC2=C1C(=CC(=C2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)N4C=C(N=C4)C5CC5
CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-n3cnc(C4CC4)c3)c21
[C][C][Branch1][C][C][N][C][=N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][Cl][C][=C][Ring1][O][=C][C][Branch1][#C][N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][Branch2][=C][Ring2][Ring1][N][Ring2][Ring1][#C]
InChI=1S/C24H22ClF2N5O2/c1-14(2)32-13-29-19-9-16(10-21(22(19)32)31-11-20(28-12-31)15-3-4-15)23(33)30-17-5-7-18(8-6-17)34-24(25,26)27/h5-15H,3-4H2,1-2H3,(H,30,33)
N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide
C24H22ClF2N5O2
InChI
157,666,302
CN1C=C(C2=C(C1=O)CCCC2)C3=CC(=C(C=C3OCC4CC4)F)NS(=O)C.O
Cn1cc(-c2cc(NS(C)=O)c(F)cc2OCC2CC2)c2c(c1=O)CCCC2.O
[C][N][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][#Branch1][N][S][Branch1][C][C][=O][=C][Branch1][C][F][C][=C][Ring1][O][O][C][C][C][C][Ring1][Ring1][C][=C][Branch1][=Branch1][C][Ring2][Ring1][=Branch1][=O][C][C][C][C][Ring1][Branch2].[O]
InChI=1S/C21H25FN2O3S.H2O/c1-24-11-17(14-5-3-4-6-15(14)21(24)25)16-9-19(23-28(2)26)18(22)10-20(16)27-12-13-7-8-13;/h9-11,13,23H,3-8,12H2,1-2H3;1H2
N-[4-(cyclopropylmethoxy)-2-fluoro-5-(2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinolin-4-yl)phenyl]methanesulfinamide;hydrate
C21H27FN2O4S
InChI
10,208,516
CCN(C1CCN(CC1)CCN(C2=CC=CC=C2)C(=O)C3CCC3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)N
CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(CCN(C(=O)C2CCC2)c2ccccc2)CC1
[C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][C][N][Branch2][Ring1][Branch2][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1]
InChI=1S/C28H38N4O4S/c1-2-31(27(33)21-22-11-13-26(14-12-22)37(29,35)36)25-15-17-30(18-16-25)19-20-32(24-9-4-3-5-10-24)28(34)23-7-6-8-23/h3-5,9-14,23,25H,2,6-8,15-21H2,1H3,(H2,29,35,36)
N-[2-[4-[ethyl-[2-(4-sulfamoylphenyl)acetyl]amino]piperidin-1-yl]ethyl]-N-phenylcyclobutanecarboxamide
C28H38N4O4S
InChI
135,724,377
CCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCCC)C3=C(C4=C(N3)C5=NN=CN5C(=O)N4CCC)Cl
CCCOc1ccc(S(=O)(=O)N2CCN(CCC)CC2)cc1-c1[nH]c2c(c1Cl)n(CCC)c(=O)n1cnnc21
[C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][NH1][C][=C][Branch1][Branch1][C][=Ring1][Branch1][Cl][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Ring1][#C][Ring1][Branch1]
InChI=1S/C26H34ClN7O4S/c1-4-9-31-11-13-32(14-12-31)39(36,37)18-7-8-20(38-15-6-3)19(16-18)22-21(27)24-23(29-22)25-30-28-17-34(25)26(35)33(24)10-5-2/h7-8,16-17,29H,4-6,9-15H2,1-3H3
10-chloro-11-[2-propoxy-5-(4-propylpiperazin-1-yl)sulfonylphenyl]-8-propyl-3,4,6,8,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraen-7-one
C26H34ClN7O4S
InChI
55,174,791
CCCC1=CC2=CC(=C(N=C2C=C1)N)C(C)C
CCCc1ccc2nc(N)c(C(C)C)cc2c1
[C][C][C][C][=C][C][=C][N][=C][Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Ring1][#Branch2][=C][Ring1][=C]
InChI=1S/C15H20N2/c1-4-5-11-6-7-14-12(8-11)9-13(10(2)3)15(16)17-14/h6-10H,4-5H2,1-3H3,(H2,16,17)
3-propan-2-yl-6-propylquinolin-2-amine
C15H20N2
InChI
21,005,029
CC1(CS(=O)(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC4=C3N=CC=C4)C
CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2)C1=O
[C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][N][=O]
InChI=1S/C20H19N3O5S2/c1-20(2)13-29(25,26)23(19(20)24)15-8-10-16(11-9-15)30(27,28)22-17-7-3-5-14-6-4-12-21-18(14)17/h3-12,22H,13H2,1-2H3
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-quinolin-8-ylbenzenesulfonamide
C20H19N3O5S2
InChI
118,427,746
CCC1=CC2=C(C=C1)C3=CC(=C(C=C3OC2=O)OC[C@@H]4CC=CC(C4)OC)OC
CCc1ccc2c(c1)c(=O)oc1cc(OC[C@@H]3CC=CC(OC)C3)c(OC)cc12
[C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][#C][O][C][C@@H1][C][C][=C][C][Branch1][Ring1][O][C][C][Ring1][Branch2][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch2]
InChI=1S/C24H26O5/c1-4-15-8-9-18-19-12-22(27-3)23(13-21(19)29-24(25)20(18)11-15)28-14-16-6-5-7-17(10-16)26-2/h5,7-9,11-13,16-17H,4,6,10,14H2,1-3H3/t16-,17?/m1/s1
8-ethyl-2-methoxy-3-[[(1R)-5-methoxycyclohex-3-en-1-yl]methoxy]benzo[c]chromen-6-one
C24H26O5
InChI
123,637,312
CC1C=C(C1C)CC(C)C
CC(C)CC1=CC(C)C1C
[C][C][Branch1][C][C][C][C][=C][C][Branch1][C][C][C][Ring1][Branch1][C]
InChI=1S/C10H18/c1-7(2)5-10-6-8(3)9(10)4/h6-9H,5H2,1-4H3
3,4-dimethyl-1-(2-methylpropyl)cyclobutene
C10H18
InChI
77,110,502
CC(CC1=CC=CC=C1OC)N(C)CC=CCN
COc1ccccc1CC(C)N(C)CC=CCN
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][N][Branch1][C][C][C][C][=C][C][N]
InChI=1S/C15H24N2O/c1-13(17(2)11-7-6-10-16)12-14-8-4-5-9-15(14)18-3/h4-9,13H,10-12,16H2,1-3H3
N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methylbut-2-ene-1,4-diamine
C15H24N2O
InChI
82,654,777
CC1=C(N=C(N=C1OC)C)C(=O)O
COc1nc(C)nc(C(=O)O)c1C
[C][O][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C]
InChI=1S/C8H10N2O3/c1-4-6(8(11)12)9-5(2)10-7(4)13-3/h1-3H3,(H,11,12)
6-methoxy-2,5-dimethylpyrimidine-4-carboxylic acid
C8H10N2O3
InChI
46,824,362
CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)N(C)C
CCCCn1c(SC(C(=O)N(C)C)c2ccccc2)nc2ccccc2c1=O
[C][C][C][C][N][C][Branch2][Ring1][=Branch1][S][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O]
InChI=1S/C22H25N3O2S/c1-4-5-15-25-20(26)17-13-9-10-14-18(17)23-22(25)28-19(21(27)24(2)3)16-11-7-6-8-12-16/h6-14,19H,4-5,15H2,1-3H3
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
C22H25N3O2S
InChI
112,647,809
CC1=CC(=CC(=C1)N2CCN(C3=CC=CC=C32)C)N
Cc1cc(N)cc(N2CCN(C)c3ccccc32)c1
[C][C][=C][C][Branch1][C][N][=C][C][Branch2][Ring1][C][N][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C]
InChI=1S/C16H19N3/c1-12-9-13(17)11-14(10-12)19-8-7-18(2)15-5-3-4-6-16(15)19/h3-6,9-11H,7-8,17H2,1-2H3
3-methyl-5-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
C16H19N3
InChI
62,243,600
CC(C)C(C)N(C)C(=O)C1=CC(=NC=C1)NN
CC(C)C(C)N(C)C(=O)c1ccnc(NN)c1
[C][C][Branch1][C][C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][N][N][=C][Ring1][Branch2]
InChI=1S/C12H20N4O/c1-8(2)9(3)16(4)12(17)10-5-6-14-11(7-10)15-13/h5-9H,13H2,1-4H3,(H,14,15)
2-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
C12H20N4O
InChI
165,663,361
CC1=NN(C(=C1C(CN)CO)OC)C
COc1c(C(CN)CO)c(C)nn1C
[C][O][C][=C][Branch1][Branch2][C][Branch1][Ring1][C][N][C][O][C][Branch1][C][C][=N][N][Ring1][O][C]
InChI=1S/C9H17N3O2/c1-6-8(7(4-10)5-13)9(14-3)12(2)11-6/h7,13H,4-5,10H2,1-3H3
3-amino-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)propan-1-ol
C9H17N3O2
InChI
172,430,538
CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)[C@@H](C(C3)(C)C)N([C@@H]4CN5CCC4CC5)C(=O)[O-])C
CCOc1ccc(-c2ccc3c(c2)CC(C)(C)[C@H]3N(C(=O)[O-])[C@@H]2CN3CCC2CC3)cc1C
[C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][N][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C@@H1][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][C]
InChI=1S/C28H36N2O3/c1-5-33-25-9-7-20(14-18(25)2)21-6-8-23-22(15-21)16-28(3,4)26(23)30(27(31)32)24-17-29-12-10-19(24)11-13-29/h6-9,14-15,19,24,26H,5,10-13,16-17H2,1-4H3,(H,31,32)/p-1/t24-,26+/m1/s1
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-N-[(1R)-5-(4-ethoxy-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamate
C28H35N2O3-
InChI
172,627,155
CCC(CC)(CC)C1=CC(=C(C=C1)O)I
CCC(CC)(CC)c1ccc(O)c(I)c1
[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][Branch2]
InChI=1S/C13H19IO/c1-4-13(5-2,6-3)10-7-8-12(15)11(14)9-10/h7-9,15H,4-6H2,1-3H3
4-(3-ethylpentan-3-yl)-2-iodophenol
C13H19IO
InChI
108,277,084
CCC(C)CN(C)C1=C(C=C(C=C1)CO)Br
CCC(C)CN(C)c1ccc(CO)cc1Br
[C][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][Br]
InChI=1S/C13H20BrNO/c1-4-10(2)8-15(3)13-6-5-11(9-16)7-12(13)14/h5-7,10,16H,4,8-9H2,1-3H3
[3-bromo-4-[methyl(2-methylbutyl)amino]phenyl]methanol
C13H20BrNO
InChI
111,212,035
CC1CCN(CC1)C(=NC)NCC2CCCN(C2)C(C)C
CN=C(NCC1CCCN(C(C)C)C1)N1CCC(C)CC1
[C][N][=C][Branch2][Ring1][C][N][C][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1]
InChI=1S/C17H34N4/c1-14(2)21-9-5-6-16(13-21)12-19-17(18-4)20-10-7-15(3)8-11-20/h14-16H,5-13H2,1-4H3,(H,18,19)
N',4-dimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide
C17H34N4
InChI
137,364,569
C[C@@H]1CC[C@H](CN1C(=O)C2=CC=CC=C2CCS(=O)O)OC3=NC=CN4C3=NC=C4C(F)(F)F
C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)(F)F)cnc23)CN1C(=O)c1ccccc1CCS(=O)O
[C][C@@H1][C][C][C@@H1][Branch2][Ring1][=Branch2][O][C][=N][C][=C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring1][=N][Ring1][=Branch2][C][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][S][=Branch1][C][=O][O]
InChI=1S/C22H23F3N4O4S/c1-14-6-7-16(33-20-19-27-12-18(22(23,24)25)28(19)10-9-26-20)13-29(14)21(30)17-5-3-2-4-15(17)8-11-34(31)32/h2-5,9-10,12,14,16H,6-8,11,13H2,1H3,(H,31,32)/t14-,16-/m1/s1
2-[2-[(2R,5R)-2-methyl-5-[3-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidine-1-carbonyl]phenyl]ethanesulfinic acid
C22H23F3N4O4S
InChI
155,897,063
C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC(=CC=C3)F
Fc1cccc(-c2nc(Cl)nc(-c3ccccc3)n2)c1
[F][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][C][Cl][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Ring1]
InChI=1S/C15H9ClFN3/c16-15-19-13(10-5-2-1-3-6-10)18-14(20-15)11-7-4-8-12(17)9-11/h1-9H
2-chloro-4-(3-fluorophenyl)-6-phenyl-1,3,5-triazine
C15H9ClFN3
InChI
157,194,830
CCCCCCC1=CC2=C(C3=C1C4=C(C=C3CCCCCC)C(=C(O4)C5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7)OC(=C2C8=CC=CC=C8)C9=CC1=CC=CC=C1C=C9.C1=CC=C(C=C1)C2=C(OC3=C4C(=CC5=C(C4=C(C=C23)C6=CC7=CC=CC=C7C=C6)OC(=C5C8=CC=CC=C8)C9=CC=C(C=C9)C1=CC=CC2=CC=CC=C21)C1=CC2=CC=CC=C2C=C1)C1=CC=C(C=C1)C1=CC=CC2=CC=CC=C21.C1=CC=C(C=C1)C2=C(OC3=C4C(=CC5=C(C4=C(C=C23)C6=CC=CC(=C6)C7=CC=CC8=CC=CC=C87)OC(=C5C9=CC=CC=C9)C1=CC=CC2=CC=CC=C21)C1=CC2=CC=CC=C2C=C1)C1=CC=CC2=CC=CC=C21
CCCCCCc1cc2c(-c3ccccc3)c(-c3ccc4ccccc4c3)oc2c2c(CCCCCC)cc3c(-c4ccccc4)c(-c4ccc5ccccc5c4)oc3c12.c1ccc(-c2c(-c3ccc(-c4cccc5ccccc45)cc3)oc3c2cc(-c2ccc4ccccc4c2)c2c4oc(-c5ccc(-c6cccc7ccccc67)cc5)c(-c5ccccc5)c4cc(-c4ccc5ccccc5c4)c32)cc1.c1ccc(-c2c(-c3cccc4ccccc34)oc3c2cc(-c2ccc4ccccc4c2)c2c4oc(-c5cccc6ccccc56)c(-c5ccccc5)c4cc(-c4cccc(-c5cccc6ccccc56)c4)c32)cc1
[C][C][C][C][C][C][C][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][=Ring2][Ring1][Branch1][C][=C][Branch1][#Branch1][C][C][C][C][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][Ring2][Ring1][Branch1][=C][Ring2][Branch1][=Branch1][Ring2][Ring1][#C].[C][=C][C][=C][Branch2][=Branch2][=N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][S][O][C][=C][Ring2][Ring1][Branch1][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][O][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][S][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][O][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Branch1][#Branch1][Ring2][Ring2][=Branch2][C][=C][Ring2][=Branch1][S].[C][=C][C][=C][Branch2][Branch2][P][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][=C][Ring1][#C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][O][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][S][=C][Ring2][Branch1][#Branch1][Ring2][Ring2][=Branch2][C][=C][Ring2][=Branch1][#Branch2]
InChI=1S/C78H48O2.C72H44O2.C58H52O2/c1-3-21-55(22-4-1)71-69-47-67(61-43-33-49-17-7-9-25-59(49)45-61)74-73(77(69)79-75(71)57-39-35-53(36-40-57)65-31-15-27-51-19-11-13-29-63(51)65)68(62-44-34-50-18-8-10-26-60(50)46-62)48-70-72(56-23-5-2-6-24-56)76(80-78(70)74)58-41-37-54(38-42-58)66-32-16-28-52-20-12-14-30-64(52)66;1-3-23-49(24-4-1)65-63-43-61(53-32-15-31-52(42-53)58-36-16-28-46-20-9-12-33-55(46)58)67-68(72(63)74-69(65)59-37-17-29-47-21-10-13-34-56(47)59)62(54-40-39-45-19-7-8-27-51(45)41-54)44-64-66(50-25-5-2-6-26-50)70(73-71(64)67)60-38-18-30-48-22-11-14-35-57(48)60;1-3-5-7-11-29-45-37-49-51(41-23-13-9-14-24-41)55(47-33-31-39-21-17-19-27-43(39)35-47)60-58(49)54-46(30-12-8-6-4-2)38-50-52(42-25-15-10-16-26-42)56(59-57(50)53(45)54)48-34-32-40-22-18-20-28-44(40)36-48/h1-48H;1-44H;9-10,13-28,31-38H,3-8,11-12,29-30H2,1-2H3
4,9-dihexyl-2,7-dinaphthalen-2-yl-1,6-diphenyl-[1]benzofuro[7,6-g][1]benzofuran;4,9-dinaphthalen-2-yl-2,7-bis(4-naphthalen-1-ylphenyl)-1,6-diphenyl-[1]benzofuro[7,6-g][1]benzofuran;2,7-dinaphthalen-1-yl-9-naphthalen-2-yl-4-(3-naphthalen-1-ylphenyl)-1,6-diphenyl-[1]benzofuro[7,6-g][1]benzofuran
C208H144O6
InChI
5,950,996
COC1=CC=CC=C1/C=C/C=C\2/C(=O)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]
COc1ccccc1/C=C/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=C][\N][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][O][C][Ring1][=C][=O]
InChI=1S/C19H14N2O5/c1-25-17-11-3-2-6-13(17)7-5-10-16-19(22)26-18(20-16)14-8-4-9-15(12-14)21(23)24/h2-12H,1H3/b7-5+,16-10-
(4Z)-4-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
C19H14N2O5
InChI
80,860,866
CC1CCCC(C1)OC2=NC(=NC(=C2)N)C
Cc1nc(N)cc(OC2CCCC(C)C2)n1
[C][C][=N][C][Branch1][C][N][=C][C][Branch1][=N][O][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][#C]
InChI=1S/C12H19N3O/c1-8-4-3-5-10(6-8)16-12-7-11(13)14-9(2)15-12/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15)
2-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
C12H19N3O
InChI
119,624,827
C1CCN(C1)C(=O)N2CCCC(C2)C(=O)N3CCC(CC3)NCC4CC4.Cl
Cl.O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCC(NCC2CC2)CC1
[Cl].[O][=C][Branch2][Ring1][=Branch1][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][=N][N][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][Ring1][O]
InChI=1S/C20H34N4O2.ClH/c25-19(22-12-7-18(8-13-22)21-14-16-5-6-16)17-4-3-11-24(15-17)20(26)23-9-1-2-10-23;/h16-18,21H,1-15H2;1H
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
C20H35ClN4O2
InChI
105,378,136
CC1=C(C=C(C=C1)F)CC(C2=C(C=CS2)C)NN
Cc1ccc(F)cc1CC(NN)c1sccc1C
[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][Ring1][N][N][C][S][C][=C][C][=Ring1][Branch1][C]
InChI=1S/C14H17FN2S/c1-9-3-4-12(15)7-11(9)8-13(17-16)14-10(2)5-6-18-14/h3-7,13,17H,8,16H2,1-2H3
[2-(5-fluoro-2-methylphenyl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
C14H17FN2S
InChI
56,604,449
C1C(CO1)OC2=C(C=C(C=C2)C(=O)O)F
O=C(O)c1ccc(OC2COC2)c(F)c1
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][Branch2][O][C][C][O][C][Ring1][Ring2][C][Branch1][C][F][=C][Ring1][N]
InChI=1S/C10H9FO4/c11-8-3-6(10(12)13)1-2-9(8)15-7-4-14-5-7/h1-3,7H,4-5H2,(H,12,13)
3-fluoro-4-(oxetan-3-yloxy)benzoic acid
C10H9FO4
InChI
104,105,852
CC(CC(C)O)NCC1=C(C(=CC=C1)OC)OC(F)F
COc1cccc(CNC(C)CC(C)O)c1OC(F)F
[C][O][C][=C][C][=C][C][Branch1][=N][C][N][C][Branch1][C][C][C][C][Branch1][C][C][O][=C][Ring1][=C][O][C][Branch1][C][F][F]
InChI=1S/C14H21F2NO3/c1-9(7-10(2)18)17-8-11-5-4-6-12(19-3)13(11)20-14(15)16/h4-6,9-10,14,17-18H,7-8H2,1-3H3
4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]pentan-2-ol
C14H21F2NO3
InChI
106,263,722
COC1(CCOC1)CNCC2=C(C=CC(=C2F)Br)F
COC1(CNCc2c(F)ccc(Br)c2F)CCOC1
[C][O][C][Branch2][Ring1][Ring1][C][N][C][C][=C][Branch1][C][F][C][=C][C][Branch1][C][Br][=C][Ring1][Branch2][F][C][C][O][C][Ring1][P]
InChI=1S/C13H16BrF2NO2/c1-18-13(4-5-19-8-13)7-17-6-9-11(15)3-2-10(14)12(9)16/h2-3,17H,4-8H2,1H3
1-(3-bromo-2,6-difluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
C13H16BrF2NO2
InChI
9,849,260
COC(=O)CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
COC(=O)CCCCCCCCO[C@H]1O[C@H](CN)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Branch1][O]
InChI=1S/C22H41NO12/c1-31-14(25)8-6-4-2-3-5-7-9-32-21-19(30)20(16(27)12(10-23)33-21)35-22-18(29)17(28)15(26)13(11-24)34-22/h12-13,15-22,24,26-30H,2-11,23H2,1H3/t12-,13-,15-,16-,17+,18-,19-,20+,21+,22-/m1/s1
methyl 9-[(2S,3R,4S,5R,6R)-6-(aminomethyl)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoate
C22H41NO12
InChI
18,524,772
C=CCC1(CCN1)CC=C
C=CCC1(CC=C)CCN1
[C][=C][C][C][Branch1][Ring2][C][C][=C][C][C][N][Ring1][#Branch1]
InChI=1S/C9H15N/c1-3-5-9(6-4-2)7-8-10-9/h3-4,10H,1-2,5-8H2
2,2-bis(prop-2-enyl)azetidine
C9H15N
InChI
67,365,088
COC(=O)CCCCCC1=CC2=C(C=C1)N=C(N2C3=CC=CC=C3)C4=CC=CC=C4
COC(=O)CCCCCc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=C][Ring2][Ring1][Branch1]
InChI=1S/C26H26N2O2/c1-30-25(29)16-10-2-5-11-20-17-18-23-24(19-20)28(22-14-8-4-9-15-22)26(27-23)21-12-6-3-7-13-21/h3-4,6-9,12-15,17-19H,2,5,10-11,16H2,1H3
methyl 6-(2,3-diphenylbenzimidazol-5-yl)hexanoate
C26H26N2O2
InChI
102,164,506
COC(=O)C1C(=C(N2N1C(=O)C=CC2=O)NCC3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(NCc2ccccc2)n2c(=O)ccc(=O)n2C1C(=O)OC
[C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Ring1][Branch2][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][C]
InChI=1S/C18H17N3O6/c1-26-17(24)14-15(18(25)27-2)20-12(22)8-9-13(23)21(20)16(14)19-10-11-6-4-3-5-7-11/h3-9,15,19H,10H2,1-2H3
dimethyl 3-(benzylamino)-5,8-dioxo-1H-pyrazolo[1,2-a]pyridazine-1,2-dicarboxylate
C18H17N3O6
InChI
59,102,884
CC1C2CCC(C2)C1COCOC(=O)C(C3C(C4CC3C5C4C6CCC5C6)C)C(C)C(=O)O
CC(C(=O)O)C(C(=O)OCOCC1C2CCC(C2)C1C)C1C(C)C2CC1C1C3CCC(C3)C21
[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch2][Ring1][#Branch1]
InChI=1S/C28H42O5/c1-13-16-4-5-17(8-16)22(13)11-32-12-33-28(31)24(15(3)27(29)30)23-14(2)20-10-21(23)26-19-7-6-18(9-19)25(20)26/h13-26H,4-12H2,1-3H3,(H,29,30)
2-methyl-4-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethoxy]-3-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-4-oxobutanoic acid
C28H42O5
InChI
123,526,973
CCC1=CC(=C(C(=C1)NC)C(C)(C)C(=O)C=CC=CC=CC=C2C(C3=C(C=C(C=C3N2C)CC)CC)(C)C)CC
CCc1cc(CC)c(C(C)(C)C(=O)C=CC=CC=CC=C2N(C)c3cc(CC)cc(CC)c3C2(C)C)c(NC)c1
[C][C][C][=C][C][Branch1][Ring1][C][C][=C][Branch2][Ring2][#C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][Branch1][C][C][C][=C][C][Branch1][Ring1][C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][#Branch2][C][Ring1][=C][Branch1][C][C][C][C][Branch1][Ring1][N][C][=C][Ring2][Ring2][=Branch1]
InChI=1S/C37H50N2O/c1-11-26-22-28(13-3)34(30(24-26)38-9)37(7,8)33(40)21-19-17-15-16-18-20-32-36(5,6)35-29(14-4)23-27(12-2)25-31(35)39(32)10/h15-25,38H,11-14H2,1-10H3
2-[2,4-diethyl-6-(methylamino)phenyl]-10-(4,6-diethyl-1,3,3-trimethylindol-2-ylidene)-2-methyldeca-4,6,8-trien-3-one
C37H50N2O
InChI
130,449,048
C1C(OC(=O)O1)P(=O)(O)O
O=C1OCC(P(=O)(O)O)O1
[O][=C][O][C][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][O][Ring1][=Branch2]
InChI=1S/C3H5O6P/c4-3-8-1-2(9-3)10(5,6)7/h2H,1H2,(H2,5,6,7)
(2-oxo-1,3-dioxolan-4-yl)phosphonic acid
C3H5O6P
InChI
65,046,028
CS(=O)(=O)C1CCCC1(CN)N2CCC3=CC=CC=C32
CS(=O)(=O)C1CCCC1(CN)N1CCc2ccccc21
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][Branch1][Ring1][C][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
InChI=1S/C15H22N2O2S/c1-20(18,19)14-7-4-9-15(14,11-16)17-10-8-12-5-2-3-6-13(12)17/h2-3,5-6,14H,4,7-11,16H2,1H3
[1-(2,3-dihydroindol-1-yl)-2-methylsulfonylcyclopentyl]methanamine
C15H22N2O2S
InChI
142,043,949
CC(C)CN(C=O)C(C1=CC=CC=C1)C(=O)N(C)C(C)C
CC(C)CN(C=O)C(C(=O)N(C)C(C)C)c1ccccc1
[C][C][Branch1][C][C][C][N][Branch1][Ring1][C][=O][C][Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI=1S/C17H26N2O2/c1-13(2)11-19(12-20)16(15-9-7-6-8-10-15)17(21)18(5)14(3)4/h6-10,12-14,16H,11H2,1-5H3
2-[formyl(2-methylpropyl)amino]-N-methyl-2-phenyl-N-propan-2-ylacetamide
C17H26N2O2
InChI
16,782,995
CC(C)C(CN)N(C)C1CCN(CC1)C
CC(C)C(CN)N(C)C1CCN(C)CC1
[C][C][Branch1][C][C][C][Branch1][Ring1][C][N][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
InChI=1S/C12H27N3/c1-10(2)12(9-13)15(4)11-5-7-14(3)8-6-11/h10-12H,5-9,13H2,1-4H3
2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
C12H27N3
InChI
106,913,530
C1CC1NCC2=CC(=CC=C2)N3C(=O)COCC3=O
O=C1COCC(=O)N1c1cccc(CNC2CC2)c1
[O][=C][C][O][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][Branch1][Branch2][C][N][C][C][C][Ring1][Ring1][=C][Ring1][O]
InChI=1S/C14H16N2O3/c17-13-8-19-9-14(18)16(13)12-3-1-2-10(6-12)7-15-11-4-5-11/h1-3,6,11,15H,4-5,7-9H2
4-[3-[(cyclopropylamino)methyl]phenyl]morpholine-3,5-dione
C14H16N2O3
InChI
117,726,187
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C5C(=C6C(=C42)C7=CC=CC=C7O6)C8=CC=CC=C8N5C9=CC=C(C=C9)C1=C2C=CC=C3C2=C(C=C1)C1=CC=CC=C13
c1ccc(-n2c3ccccc3c3c4c(c5ccccc5n4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)c4oc5ccccc5c4c32)cc1
[C][=C][C][=C][Branch2][#Branch1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring2][Ring2][#Branch2][Ring2][Ring2][P][C][=C][Ring2][Branch1][#Branch1]
InChI=1S/C52H30N2O/c1-2-13-32(14-3-1)53-43-22-9-6-17-40(43)47-50-48(52-49(51(47)53)42-19-8-11-24-45(42)55-52)41-18-7-10-23-44(41)54(50)33-27-25-31(26-28-33)34-29-30-39-36-16-5-4-15-35(36)38-21-12-20-37(34)46(38)39/h1-30H
18-(4-fluoranthen-3-ylphenyl)-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
C52H30N2O
InChI
28,592,249
CC1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3N(S2(=O)=O)CC=C)C4=CC=CC=C4
C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)N2CCC(C)CC2)S1(=O)=O
[C][=C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Ring2][Ring1][=Branch2][=Branch1][C][=O][=O]
InChI=1S/C24H26N2O3S/c1-3-15-26-21-12-8-7-11-20(21)22(19-9-5-4-6-10-19)23(30(26,28)29)24(27)25-16-13-18(2)14-17-25/h3-12,18H,1,13-17H2,2H3
(2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazin-3-yl)-(4-methylpiperidin-1-yl)methanone
C24H26N2O3S
InChI
137,511,887
CN(/C(=C(/N)\N=C)/N)S
C=N/C(N)=C(/N)N(C)S
[C][=N][/C][Branch1][C][N][=C][Branch1][C][/N][N][Branch1][C][C][S]
InChI=1S/C4H10N4S/c1-7-3(5)4(6)8(2)9/h9H,1,5-6H2,2H3/b4-3-
N-[(Z)-1,2-diamino-2-(methylideneamino)ethenyl]-N-methylthiohydroxylamine
C4H10N4S
InChI
79,995,777
CCCC(CCC1=C(C=CS1)C)NC
CCCC(CCc1sccc1C)NC
[C][C][C][C][Branch1][O][C][C][C][S][C][=C][C][=Ring1][Branch1][C][N][C]
InChI=1S/C12H21NS/c1-4-5-11(13-3)6-7-12-10(2)8-9-14-12/h8-9,11,13H,4-7H2,1-3H3
N-methyl-1-(3-methylthiophen-2-yl)hexan-3-amine
C12H21NS
InChI
55,184,126
C[C@H](C1=CC=C(C=C1)N(CC(F)(F)F)C(C)C)O
CC(C)N(CC(F)(F)F)c1ccc([C@@H](C)O)cc1
[C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C][=C][Ring1][=Branch2]
InChI=1S/C13H18F3NO/c1-9(2)17(8-13(14,15)16)12-6-4-11(5-7-12)10(3)18/h4-7,9-10,18H,8H2,1-3H3/t10-/m1/s1
(1R)-1-[4-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
C13H18F3NO
InChI
108,253,292
CC1=C(C=CO1)CN(C)CCC(C2=C(C(=CC=C2)F)F)N
Cc1occc1CN(C)CCC(N)c1cccc(F)c1F
[C][C][O][C][=C][C][=Ring1][Branch1][C][N][Branch1][C][C][C][C][C][Branch1][C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F]
InChI=1S/C16H20F2N2O/c1-11-12(7-9-21-11)10-20(2)8-6-15(19)13-4-3-5-14(17)16(13)18/h3-5,7,9,15H,6,8,10,19H2,1-2H3
1-(2,3-difluorophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
C16H20F2N2O
InChI
19,889,888
C1=CC2=C(C=C1OC(F)(F)F)NC(=C2CC(=O)O)C(=O)O
O=C(O)Cc1c(C(=O)O)[nH]c2cc(OC(F)(F)F)ccc12
[O][=C][Branch1][C][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][P][Ring1][O]
InChI=1S/C12H8F3NO5/c13-12(14,15)21-5-1-2-6-7(4-9(17)18)10(11(19)20)16-8(6)3-5/h1-3,16H,4H2,(H,17,18)(H,19,20)
3-(carboxymethyl)-6-(trifluoromethoxy)-1H-indole-2-carboxylic acid
C12H8F3NO5
InChI
102,486,411
CC(C)(C)C1=NC=C(C(=C1)C(=O)OC)C(=O)OC
COC(=O)c1cnc(C(C)(C)C)cc1C(=O)OC
[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C]
InChI=1S/C13H17NO4/c1-13(2,3)10-6-8(11(15)17-4)9(7-14-10)12(16)18-5/h6-7H,1-5H3
dimethyl 6-tert-butylpyridine-3,4-dicarboxylate
C13H17NO4
InChI
104,319,266
CC(CCOC1=CN=C(C=C1)Cl)O
CC(O)CCOc1ccc(Cl)nc1
[C][C][Branch1][C][O][C][C][O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]
InChI=1S/C9H12ClNO2/c1-7(12)4-5-13-8-2-3-9(10)11-6-8/h2-3,6-7,12H,4-5H2,1H3
4-[(6-chloro-3-pyridinyl)oxy]butan-2-ol
C9H12ClNO2
InChI
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