 | | 9FZ | | Name: | (2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid | | Formula: | C8 H14 N4 O2 | | SMILES: | Cc1cn(CCC[CH](N)C(O)=O)nn1 | | InChi: | InChI=1S/C8H14N4O2/c1-6-5-12(11-10-6)4-2-3-7(9)8(13)14/h5,7H,2-4,9H2,1H3,(H,13,14)/t7-/m0/s1 | | Definition date: | 2017-05-17 | | Last modified: | 2023-11-03 | | Release date: | 2017-08-30 | | Identifier: | (2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid |
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 | | 9G2 | | Name: | (2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid | | Formula: | C9 H16 N4 O2 | | SMILES: | CCc1cn(CCC[CH](N)C(O)=O)nn1 | | InChi: | InChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1 | | Definition date: | 2017-05-17 | | Last modified: | 2023-11-03 | | Release date: | 2017-08-30 | | Identifier: | (2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid |
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 | | 9IJ | | Name: | 2-cyano-L-phenylalanine | | Formula: | C10 H10 N2 O2 | | SMILES: | NC(Cc1ccccc1C#N)C(=O)O | | InChi: | InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2021-10-18 | | Last modified: | 2023-11-03 | | Release date: | 2022-05-11 | | Identifier: | 2-cyano-L-phenylalanine |
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 | | 9JV | | Name: | 8-azanyl-4-methoxy-quinoline-2-carboxylic acid | | Formula: | C11 H10 N2 O3 | | SMILES: | COc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C11H10N2O3/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15) | | Definition date: | 2021-11-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-09-27 | | Identifier: | 8-azanyl-4-methoxy-quinoline-2-carboxylic acid |
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 | | 9KP | | Name: | (E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine | | Formula: | C17 H20 N2 O6 | | SMILES: | C(/C(=O)O)(=NCCCCC(N)C(=O)O)C=Cc1c(C(O)=O)cccc1 | | InChi: | InChI=1S/C17H20N2O6/c18-13(16(22)23)7-3-4-10-19-14(17(24)25)9-8-11-5-1-2-6-12(11)15(20)21/h1-2,5-6,8-9,13H,3-4,7,10,18H2,(H,20,21)(H,22,23)(H,24,25)/b9-8+,19-14+/t13-/m0/s1 | | Definition date: | 2017-05-18 | | Last modified: | 2023-11-03 | | Release date: | 2019-04-10 | | Identifier: | (E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine |
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 | | CUD | | Name: | 3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine | | Formula: | C7 H10 N4 O3 | | SMILES: | O=C1N=C(C=CN1CC(C(=O)O)N)N | | InChi: | InChI=1S/C7H10N4O3/c8-4(6(12)13)3-11-2-1-5(9)10-7(11)14/h1-2,4H,3,8H2,(H,12,13)(H2,9,10,14)/t4-/m1/s1 | | Definition date: | 2008-02-12 | | Last modified: | 2023-11-03 | | Identifier: | 3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine |
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 | | CYJ | | Name: | (Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)PIPERIDIN-3-YLIDENE]-L-LYSINE | | Formula: | C16 H27 N3 O6 | | SMILES: | O=C(O)C(N)CCCC/N=C1/CNCC(CCC(=O)O)C1CC(=O)O | | InChi: | InChI=1S/C16H27N3O6/c17-12(16(24)25)3-1-2-6-19-13-9-18-8-10(4-5-14(20)21)11(13)7-15(22)23/h10-12,18H,1-9,17H2,(H,20,21)(H,22,23)(H,24,25)/b19-13-/t10-,11-,12+/m1/s1 | | Synonyms: | 2-AMINO-6-(3-CARBOXY-1-[(4-CARBOXY-2-OXO-BUTYLAMINO)-METHYL]-PROPYLIDENEAMINO)-HEXANOIC ACID | | Definition date: | 2005-09-11 | | Last modified: | 2023-11-03 | | Identifier: | (E)-N~6~-[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)piperidin-3-ylidene]-L-lysine |
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 | | CZO | | Name: | [(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid | | Formula: | C15 H21 N3 O6 | | SMILES: | O=C1N(CC(=O)O)C(O)(NC1Cc2ccc(O)cc2)C(N)C(O)C | | InChi: | InChI=1S/C15H21N3O6/c1-8(19)13(16)15(24)17-11(14(23)18(15)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,11,13,17,19-20,24H,6-7,16H2,1H3,(H,21,22)/t8-,11+,13+,15-/m1/s1 | | Definition date: | 2008-12-17 | | Last modified: | 2023-11-03 | | Identifier: | [(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid |
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 | | CZS | | Name: | 3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine | | Formula: | C10 H9 Cl N2 O2 S | | SMILES: | NC(Cc2sc1cc(Cl)ccc1n2)C(=O)O | | InChi: | InChI=1S/C10H9ClN2O2S/c11-5-1-2-7-8(3-5)16-9(13-7)4-6(12)10(14)15/h1-3,6H,4,12H2,(H,14,15)/t6-/m0/s1 | | Definition date: | 2017-10-09 | | Last modified: | 2023-11-03 | | Release date: | 2018-02-28 | | Identifier: | 3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine |
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 | | D0Q | | Name: | 5-methyl-L-tryptophan | | Formula: | C12 H14 N2 O2 | | SMILES: | Cc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1 | | InChi: | InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1 | | Definition date: | 2017-12-15 | | Last modified: | 2023-11-03 | | Release date: | 2019-01-30 | | Identifier: | (2~{S})-2-azanyl-3-(5-methyl-1~{H}-indol-3-yl)propanoic acid |
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 | | KMF | | Name: | N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide | | Formula: | C19 H23 N3 O2 | | SMILES: | CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1 | | InChi: | InChI=1S/C19H23N3O2/c1-15(23)22-13-11-21(12-14-22)10-9-20-19(24)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3,(H,20,24) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide |
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 | | KMX | | Name: | 1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one | | Formula: | C17 H21 N3 O S | | SMILES: | CC(=O)N1CCN(CC1)Cc1cnc(Cc2ccccc2)s1 | | InChi: | InChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one |
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 | | KNU | | Name: | N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide | | Formula: | C10 H11 Cl F N O | | SMILES: | Fc1cc(cc(Cl)c1)C(C)NC(C)=O | | InChi: | InChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]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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 | | KPF | | Name: | N-(1-carboxy-2-fluoro-ethenyl) lysine | | Formula: | C9 H15 F N2 O4 | | SMILES: | N[CH](CCCCN=C(CF)C(O)=O)C(O)=O | | InChi: | InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1 | | Definition date: | 2015-07-15 | | Last modified: | 2023-11-03 | | Release date: | 2015-11-18 | | Identifier: | (2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid |
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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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 | | KPY | | Name: | (2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID | | Formula: | C8 H14 N2 O4 S | | SMILES: | O=C(O)C(N)CSCC/N=C(/C(=O)O)C | | InChi: | InChI=1S/C8H14N2O4S/c1-5(7(11)12)10-2-3-15-4-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,11,12)(H,13,14)/b10-5+/t6-/m0/s1 | | Synonyms: | PYRUVOYL-L-THIALYSINE | | Definition date: | 2012-02-03 | | Last modified: | 2023-11-03 | | Release date: | 2013-01-18 | | Identifier: | S-{2-[(E)-(1-carboxyethylidene)amino]ethyl}-L-cysteine |
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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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 | | 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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 | | KSI | | Name: | 1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one | | Formula: | C17 H25 Cl N2 O | | SMILES: | CC(C)CC1CN(CCN1Cc1cc(Cl)ccc1)C(C)=O | | InChi: | InChI=1S/C17H25ClN2O/c1-13(2)9-17-12-19(14(3)21)7-8-20(17)11-15-5-4-6-16(18)10-15/h4-6,10,13,17H,7-9,11-12H2,1-3H3/t17-/m0/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one |
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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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