 | | 0OB | | Name: | 3-(1-benzothiophen-2-yl)propanoic acid | | Formula: | C11 H10 O2 S | | SMILES: | O=C(O)CCc2sc1ccccc1c2 | | InChi: | InChI=1S/C11H10O2S/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13) | | Definition date: | 2012-03-30 | | Last modified: | 2023-11-03 | | Release date: | 2012-10-05 | | Identifier: | 3-(1-benzothiophen-2-yl)propanoic acid |
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 | | KO9 | | Name: | N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide | | Formula: | C13 H10 N4 O | | SMILES: | O=C(Nc1cc(cnc1)C#N)Cc1cccnc1 | | InChi: | InChI=1S/C13H10N4O/c14-6-11-4-12(9-16-8-11)17-13(18)5-10-2-1-3-15-7-10/h1-4,7-9H,5H2,(H,17,18) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide |
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 | | KOI | | Name: | 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide | | Formula: | C13 H11 Cl N2 O | | SMILES: | O=C(Nc1cccnc1)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C13H11ClN2O/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12/h1-7,9H,8H2,(H,16,17) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide |
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 | | KP0 | | Name: | N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea | | Formula: | C20 H24 Cl N3 O | | SMILES: | O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1 | | InChi: | InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea |
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 | | KPN | | Name: | N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine | | Formula: | C16 H18 N4 O3 | | SMILES: | O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN | | InChi: | InChI=1S/C16H18N4O3/c17-6-8-20(11-16(22)23)15(21)9-12-4-5-14(19-10-12)13-3-1-2-7-18-13/h1-5,7,10H,6,8-9,11,17H2,(H,22,23) | | Definition date: | 2010-04-20 | | Last modified: | 2023-11-03 | | Identifier: | N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine |
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 | | KQ3 | | Name: | N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea | | Formula: | C18 H21 Cl N4 O2 | | SMILES: | Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1 | | InChi: | InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea |
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 | | KQ9 | | Name: | 1-[(dimethylamino)methyl]cyclobutan-1-amine | | Formula: | C7 H16 N2 | | SMILES: | CN(C)CC1(N)CCC1 | | InChi: | InChI=1S/C7H16N2/c1-9(2)6-7(8)4-3-5-7/h3-6,8H2,1-2H3 | | Definition date: | 2022-06-01 | | Last modified: | 2023-11-03 | | Release date: | 2022-12-07 | | Identifier: | 1-[(dimethylamino)methyl]cyclobutan-1-amine |
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 | | KQL | | Name: | N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide | | Formula: | C15 H13 F3 N2 O | | SMILES: | O=C(Nc1cnccc1C)Cc1cccc(c1)C(F)(F)F | | InChi: | InChI=1S/C15H13F3N2O/c1-10-5-6-19-9-13(10)20-14(21)8-11-3-2-4-12(7-11)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide |
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 | | KQX | | Name: | 2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C15 H16 N2 O | | SMILES: | O=C(Nc1cnccc1C)Cc1ccc(C)cc1 | | InChi: | InChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)9-15(18)17-14-10-16-8-7-12(14)2/h3-8,10H,9H2,1-2H3,(H,17,18) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | KS0 | | Name: | 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one | | Formula: | C14 H19 F N2 O | | SMILES: | CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1 | | InChi: | InChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one |
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 | | 0TD | | Name: | (3S)-3-(methylsulfanyl)-L-aspartic acid | | Formula: | C5 H9 N O4 S | | SMILES: | O=C(O)C(N)C(SC)C(=O)O | | InChi: | InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1 | | Definition date: | 2012-02-22 | | Last modified: | 2023-11-03 | | Release date: | 2012-11-09 | | Identifier: | (3S)-3-(methylsulfanyl)-L-aspartic acid |
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 | | KSX | | Name: | 2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C14 H12 N4 O | | SMILES: | O=C(Nc1cnccc1C)Cc1cc(C#N)cnc1 | | InChi: | InChI=1S/C14H12N4O/c1-10-2-3-16-9-13(10)18-14(19)5-11-4-12(6-15)8-17-7-11/h2-4,7-9H,5H2,1H3,(H,18,19) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | KT9 | | Name: | N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide | | Formula: | C16 H16 N4 O3 | | SMILES: | Cc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1 | | InChi: | InChI=1S/C16H16N4O3/c1-10-2-12(5-13(3-10)23-16-6-15(22)20-16)19-14(21)4-11-7-17-9-18-8-11/h2-3,5,7-9,16H,4,6H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide |
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 | | KU6 | | Name: | (4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C15 H15 Cl N4 O2 | | SMILES: | Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1 | | InChi: | InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m1/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | NOI | | Name: | 2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide | | Formula: | C12 H12 Cl N3 O | | SMILES: | O=C(Nc1cncn1C)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C12H12ClN3O/c1-16-8-14-7-11(16)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7-8H,6H2,1H3,(H,15,17) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide |
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 | | 22G | | Name: | N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine | | Formula: | C18 H22 N2 O3 | | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2 | | InChi: | InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1 | | Definition date: | 2013-08-23 | | Last modified: | 2023-11-03 | | Release date: | 2014-01-15 | | Identifier: | N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine |
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 | | 23F | | Name: | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID | | Formula: | C9 H9 N O2 | | SMILES: | O=C(O)C(/N)=C/c1ccccc1 | | InChi: | InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6- | | Synonyms: | DEHYDROPHENYLALANINE | | Definition date: | 2005-10-17 | | Last modified: | 2023-11-03 | | Identifier: | (2Z)-2-amino-3-phenylprop-2-enoic acid |
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 | | 23P | | Name: | 3-(propanoylamino)-L-alanine | | Formula: | C6 H12 N2 O3 | | SMILES: | O=C(NCC(N)C(=O)O)CC | | InChi: | InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 | | Definition date: | 2012-12-12 | | Last modified: | 2023-11-03 | | Release date: | 2013-08-14 | | Identifier: | 3-(propanoylamino)-L-alanine |
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 | | NQ3 | | Name: | (1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one | | Formula: | C15 H12 Cl N3 O | | SMILES: | Clc1cccc(c1)N1C=CN(c2cnccc2C)C1=O | | InChi: | InChI=1S/C15H12ClN3O/c1-11-5-6-17-10-14(11)19-8-7-18(15(19)20)13-4-2-3-12(16)9-13/h2-10H,1H3 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one |
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 | | 23S | | Name: | (S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID | | Formula: | C9 H10 N2 O2 Se | | SMILES: | O=C(O)C(N)Cc2c1cc[se]c1nc2 | | InChi: | InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1 | | Definition date: | 2004-01-02 | | Last modified: | 2023-11-03 | | Identifier: | 3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine |
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 | | NQO | | Name: | 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide | | Formula: | C13 H12 Cl N3 O | | SMILES: | Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C13H12ClN3O/c1-9-5-6-15-17-13(9)16-12(18)8-10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,16,17,18) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide |
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 | | NR0 | | Name: | N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide | | Formula: | C13 H17 N7 O4 | | SMILES: | OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21 | | InChi: | InChI=1S/C13H17N7O4/c14-7-3-24-4-8(7)20(2-10(22)23)9(21)1-19-6-18-11-12(15)16-5-17-13(11)19/h5-8H,1-4,14H2,(H,22,23)(H2,15,16,17)/t7-,8-/m0/s1 | | Definition date: | 2022-04-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-04-05 | | Identifier: | N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine |
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 | | NRC | | Name: | methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate | | Formula: | C16 H15 Cl N2 O3 | | SMILES: | O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(=O)OC | | InChi: | InChI=1S/C16H15ClN2O3/c1-10-6-7-18-9-13(10)19-15(20)14(16(21)22-2)11-4-3-5-12(17)8-11/h3-9,14H,1-2H3,(H,19,20)/t14-/m1/s1 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate |
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 | | NRL | | Name: | N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine | | Formula: | C12 H17 N5 O5 | | SMILES: | OC(=O)CN(C1COCC1N)C(=O)CN1C=CC(N)=NC1=O | | InChi: | InChI=1S/C12H17N5O5/c13-7-5-22-6-8(7)17(4-11(19)20)10(18)3-16-2-1-9(14)15-12(16)21/h1-2,7-8H,3-6,13H2,(H,19,20)(H2,14,15,21)/t7-,8-/m0/s1 | | Definition date: | 2022-04-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-04-05 | | Identifier: | N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine |
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 | | NRX | | Name: | 2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide | | Formula: | C15 H12 Cl N3 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1ncn2ccccc12 | | InChi: | InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-14(20)18-15-13-6-1-2-7-19(13)10-17-15/h1-8,10H,9H2,(H,18,20) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide |
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