 | | 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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 | | D11 | | Name: | D-PHOSPHOTHREONINE | | Formula: | C4 H10 N O6 P | | SMILES: | O=P(O)(O)OC(C(N)C(=O)O)C | | InChi: | InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m0/s1 | | Synonyms: | O-PHOSPHONO-D-THREONINE | | Definition date: | 2006-11-15 | | Last modified: | 2023-11-03 | | Identifier: | O-phosphono-D-threonine |
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 | | D2T | | Name: | (3R)-3-(methylsulfanyl)-L-aspartic acid | | Formula: | C5 H9 N O4 S | | SMILES: | NC(C(=O)O)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: | 2015-03-02 | | Last modified: | 2023-11-03 | | Release date: | 2015-03-18 | | Identifier: | (3R)-3-(methylsulfanyl)-L-aspartic acid |
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 | | D3P | | Name: | (2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID | | Formula: | C8 H9 N O4 | | SMILES: | O=C(O)C(c1cc(O)cc(O)c1)N | | InChi: | InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m1/s1 | | Definition date: | 2004-09-08 | | Last modified: | 2023-11-03 | | Identifier: | (2R)-amino(3,5-dihydroxyphenyl)ethanoic acid |
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 | | D4P | | Name: | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | | Formula: | C8 H9 N O3 | | SMILES: | O=C(O)C(N)c1ccc(O)cc1 | | InChi: | InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1 | | Definition date: | 2004-09-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-amino(4-hydroxyphenyl)ethanoic acid |
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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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 | | 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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 | | 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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 | | 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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 | | 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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 | | KUU | | Name: | (2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide | | Formula: | C17 H19 Cl N2 O | | SMILES: | O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(C)C | | InChi: | InChI=1S/C17H19ClN2O/c1-11(2)16(13-5-4-6-14(18)9-13)17(21)20-15-10-19-8-7-12(15)3/h4-11,16H,1-3H3,(H,20,21)/t16-/m1/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide |
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 | | KV6 | | Name: | (3R)-3-aminoheptadecanoic acid | | Formula: | C17 H35 N O2 | | SMILES: | NC(CCCCCCCCCCCCCC)CC(=O)O | | InChi: | InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1 | | Synonyms: | N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl
)-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl
]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide | | Definition date: | 2022-02-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-03-01 | | Identifier: | (3R)-3-aminoheptadecanoic acid |
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 | | KVF | | Name: | (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide | | Formula: | C15 H16 Cl N3 O | | SMILES: | Cc1cnncc1NC(=O)C(CC)c1cccc(Cl)c1 | | InChi: | InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide |
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 | | KVO | | Name: | 2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide | | Formula: | C15 H15 Cl N2 O | | SMILES: | Cc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C15H15ClN2O/c1-10-6-7-17-11(2)15(10)18-14(19)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H,18,19) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide |
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 | | KVX | | Name: | (3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide | | Formula: | C15 H13 Cl N2 O3 | | SMILES: | OCc1ccncc1NC(=O)C1COc2ccc(Cl)cc21 | | InChi: | InChI=1S/C15H13ClN2O3/c16-10-1-2-14-11(5-10)12(8-21-14)15(20)18-13-6-17-4-3-9(13)7-19/h1-6,12,19H,7-8H2,(H,18,20)/t12-/m1/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide |
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