 | | E7V | | Name: | 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid | | Formula: | C25 H19 Br Cl2 N2 O3 S | | SMILES: | c32c(cc(Sc1cc(c(Cl)cc1)Cl)cc2Br)n(c(c3)C(O)=O)Cc4ccc(cc4)C(=O)N(C)C | | InChi: | InChI=1S/C25H19BrCl2N2O3S/c1-29(2)24(31)15-5-3-14(4-6-15)13-30-22-11-17(34-16-7-8-20(27)21(28)10-16)9-19(26)18(22)12-23(30)25(32)33/h3-12H,13H2,1-2H3,(H,32,33) | | Definition date: | 2017-12-06 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid |
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 | | EVY | | Name: | (2S)-2-hexyl-N-[(3S)-2-oxooxolan-3-yl]decanamide | | Formula: | C20 H37 N O3 | | SMILES: | CCCCCCCCC(CCCCCC)C(=O)NC1C(OCC1)=O | | InChi: | InChI=1S/C20H37NO3/c1-3-5-7-9-10-12-14-17(13-11-8-6-4-2)19(22)21-18-15-16-24-20(18)23/h17-18H,3-16H2,1-2H3,(H,21,22)/t17-,18-/m0/s1 | | Definition date: | 2018-02-05 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | (2S)-2-hexyl-N-[(3S)-2-oxooxolan-3-yl]decanamide |
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 | | EWM | | Name: | N-[(3S)-2-oxooxolan-3-yl]dodecanamide | | Formula: | C16 H29 N O3 | | SMILES: | O=C(CCCCCCCCCCC)NC1CCOC1=O | | InChi: | InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)/t14-/m0/s1 | | Definition date: | 2018-02-06 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | N-[(3S)-2-oxooxolan-3-yl]dodecanamide |
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 | | EY7 | | Name: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid | | Formula: | C12 H12 N2 O3 | | SMILES: | OC(=O)CCc2c(nc1c(cccc1)n2)OC | | InChi: | InChI=1S/C12H12N2O3/c1-17-12-10(6-7-11(15)16)13-8-4-2-3-5-9(8)14-12/h2-5H,6-7H2,1H3,(H,15,16) | | Definition date: | 2018-02-12 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid |
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 | | EYA | | Name: | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | | Formula: | C12 H12 N2 O3 | | SMILES: | C=1(N(C)C(=O)c2c(N=1)cccc2)CCC(O)=O | | InChi: | InChI=1S/C12H12N2O3/c1-14-10(6-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16) | | Definition date: | 2018-02-12 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid |
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 | | EYJ | | Name: | 3-(1,3-benzothiazol-2-yl)propanoic acid | | Formula: | C10 H9 N O2 S | | SMILES: | C(Cc1sc2c(n1)cccc2)C(O)=O | | InChi: | InChI=1S/C10H9NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13) | | Definition date: | 2018-02-12 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 3-(1,3-benzothiazol-2-yl)propanoic acid |
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 | | EYM | | Name: | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid | | Formula: | C12 H12 N2 O3 | | SMILES: | c2ccc1c(N=C(C(=O)N1C)CCC(O)=O)c2 | | InChi: | InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16) | | Definition date: | 2018-02-12 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid |
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 | | EYP | | Name: | 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid | | Formula: | C14 H12 N2 O4 S2 | | SMILES: | OC(CCc3sc2c(cc1c(sc(CCC(O)=O)n1)c2)n3)=O | | InChi: | InChI=1S/C14H12N2O4S2/c17-13(18)3-1-11-15-7-5-8-10(6-9(7)21-11)22-12(16-8)2-4-14(19)20/h5-6H,1-4H2,(H,17,18)(H,19,20) | | Definition date: | 2018-02-12 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid |
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 | | EYV | | Name: | (1,3-benzothiazol-2-yl)acetic acid | | Formula: | C9 H7 N O2 S | | SMILES: | C(C(O)=O)c2sc1c(cccc1)n2 | | InChi: | InChI=1S/C9H7NO2S/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12) | | Definition date: | 2018-02-12 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | (1,3-benzothiazol-2-yl)acetic acid |
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 | | EYY | | Name: | 3-(quinolin-2-yl)propanoic acid | | Formula: | C12 H11 N O2 | | SMILES: | C(C(O)=O)Cc2ccc1ccccc1n2 | | InChi: | InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15) | | Definition date: | 2018-02-12 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 3-(quinolin-2-yl)propanoic acid |
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 | | 8LZ | | Name: | (2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium | | Formula: | C12 H16 N O2 | | SMILES: | C1C[NH2+][CH](C1)c2ccc3OCCOc3c2 | | InChi: | InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2/p+1/t10-/m0/s1 | | Definition date: | 2017-02-10 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | (2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium |
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 | | 8M2 | | Name: | [azanyl(thiophen-3-yl)methylidene]azanium | | Formula: | C5 H7 N2 S | | SMILES: | NC(=[NH2+])c1cscc1 | | InChi: | InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)/p+1 | | Definition date: | 2017-02-10 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | [azanyl(thiophen-3-yl)methylidene]azanium |
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 | | 8M8 | | Name: | 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile | | Formula: | C9 H8 N4 S | | SMILES: | Cc1c(C)c(sc1C#N)c2n[nH]cn2 | | InChi: | InChI=1S/C9H8N4S/c1-5-6(2)8(14-7(5)3-10)9-11-4-12-13-9/h4H,1-2H3,(H,11,12,13) | | Definition date: | 2017-02-11 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile |
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 | | 8MB | | Name: | (~{E})-3-(4-methylphenyl)prop-2-enoic acid | | Formula: | C10 H10 O2 | | SMILES: | Cc1ccc(cc1)C=CC(O)=O | | InChi: | InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+ | | Definition date: | 2017-02-11 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | (~{E})-3-(4-methylphenyl)prop-2-enoic acid |
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 | | 8MK | | Name: | (~{E})-4-(4-hydroxyphenyl)but-3-en-2-one | | Formula: | C10 H10 O2 | | SMILES: | CC(=O)C=Cc1ccc(O)cc1 | | InChi: | InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+ | | Definition date: | 2017-02-11 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | (~{E})-4-(4-hydroxyphenyl)but-3-en-2-one |
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 | | 8MN | | Name: | 2-(4-chlorophenyl)sulfanylethanehydrazide | | Formula: | C8 H9 Cl N2 O S | | SMILES: | NNC(=O)CSc1ccc(Cl)cc1 | | InChi: | InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12) | | Definition date: | 2017-02-11 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 2-(4-chlorophenyl)sulfanylethanehydrazide |
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 | | 8MQ | | Name: | 2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one | | Formula: | C17 H22 N2 O | | SMILES: | CC(N1CCCCCC1)C(=O)c2c[nH]c3ccccc23 | | InChi: | InChI=1S/C17H22N2O/c1-13(19-10-6-2-3-7-11-19)17(20)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,2-3,6-7,10-11H2,1H3 | | Definition date: | 2017-02-12 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one |
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 | | 8MT | | Name: | 4,5-bis(bromanyl)thiophene-2-carbohydrazide | | Formula: | C5 H4 Br2 N2 O S | | SMILES: | NNC(=O)c1sc(Br)c(Br)c1 | | InChi: | InChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10) | | Definition date: | 2017-02-13 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 4,5-bis(bromanyl)thiophene-2-carbohydrazide |
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 | | 8MW | | Name: | 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid | | Formula: | C12 H12 N2 O2 S | | SMILES: | Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3 | | InChi: | InChI=1S/C12H12N2O2S/c1-5-8-6(2)13-10(7-3-4-7)14-11(8)17-9(5)12(15)16/h7H,3-4H2,1-2H3,(H,15,16) | | Definition date: | 2017-02-13 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid |
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 | | 8MZ | | Name: | 5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one | | Formula: | C10 H8 N4 O S | | SMILES: | Nc1scc(n1)c2ccc3NC(=O)Nc3c2 | | InChi: | InChI=1S/C10H8N4OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,11,12)(H2,13,14,15) | | Definition date: | 2017-02-13 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one |
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 | | 8N2 | | Name: | (~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid | | Formula: | C11 H12 O4 | | SMILES: | COc1cccc(C=CC(O)=O)c1OC | | InChi: | InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+ | | Definition date: | 2017-02-13 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | (~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid |
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 | | 8N5 | | Name: | 2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one | | Formula: | C10 H8 N2 O S | | SMILES: | O=C1NNC2=C1SCc3ccccc23 | | InChi: | InChI=1S/C10H8N2OS/c13-10-9-8(11-12-10)7-4-2-1-3-6(7)5-14-9/h1-4H,5H2,(H2,11,12,13) | | Definition date: | 2017-02-13 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one |
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 | | 8N8 | | Name: | 3,4-bis(bromanyl)thiophene-2-carboxylic acid | | Formula: | C5 H2 Br2 O2 S | | SMILES: | OC(=O)c1scc(Br)c1Br | | InChi: | InChI=1S/C5H2Br2O2S/c6-2-1-10-4(3(2)7)5(8)9/h1H,(H,8,9) | | Definition date: | 2017-02-13 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | 3,4-bis(bromanyl)thiophene-2-carboxylic acid |
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 | | 8NE | | Name: | [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium | | Formula: | C8 H8 F3 N2 | | SMILES: | NC(=[NH2+])c1ccc(cc1)C(F)(F)F | | InChi: | InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)/p+1 | | Definition date: | 2017-02-13 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium |
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 | | 8QD | | Name: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol | | Formula: | C24 H33 N O | | SMILES: | c1ccncc1C=4C3(CCC5C2(CCC(O)CC2CCC5C3CC=4)C)C | | InChi: | InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18+,19-,21-,22-,23-,24+/m0/s1 | | Definition date: | 2017-03-01 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol |
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