 | | LXF | | Name: | N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide | | Formula: | C17 H17 N3 O3 S2 | | SMILES: | O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O | | InChi: | InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide |
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 | | LYP | | Name: | N~6~-METHYL-N~6~-PROPYL-L-LYSINE | | Formula: | C10 H22 N2 O2 | | SMILES: | O=C(O)C(N)CCCCN(CCC)C | | InChi: | InChI=1S/C10H22N2O2/c1-3-7-12(2)8-5-4-6-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1 | | Definition date: | 2007-03-28 | | Last modified: | 2023-11-03 | | Identifier: | N~6~-methyl-N~6~-propyl-L-lysine |
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 | | LYV | | Name: | O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide | | Formula: | C9 H19 N4 O8 P | | SMILES: | O=P(OCC(C(=O)NCC(=O)NCCC(C(=O)O)N)N)(O)O | | InChi: | InChI=1S/C9H19N4O8P/c10-5(9(16)17)1-2-12-7(14)3-13-8(15)6(11)4-21-22(18,19)20/h5-6H,1-4,10-11H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)/t5-,6-/m0/s1 | | Definition date: | 2013-12-06 | | Last modified: | 2023-11-03 | | Release date: | 2014-12-03 | | Identifier: | O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide |
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 | | 2QY | | Name: | (2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid | | Formula: | C10 H11 N O3 | | SMILES: | O=C(O)/C(=C/c1ccc(O)cc1)NC | | InChi: | InChI=1S/C10H11NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,11-12H,1H3,(H,13,14)/b9-6- | | Definition date: | 2014-01-09 | | Last modified: | 2023-11-03 | | Release date: | 2014-04-02 | | Identifier: | (2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid |
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 | | 2R3 | | Name: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine | | Formula: | C10 H13 N O4 | | SMILES: | O=C(O)C(N)C(O)c1ccc(OC)cc1 | | InChi: | InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1 | | Definition date: | 2014-01-10 | | Last modified: | 2023-11-03 | | Release date: | 2014-04-02 | | Identifier: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine |
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 | | LZX | | Name: | (2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-yl)butanamide | | Formula: | C16 H19 N3 O3 S | | SMILES: | O=C(Nc1cccnc1)C(CCNS(C)(=O)=O)c1ccccc1 | | InChi: | InChI=1S/C16H19N3O3S/c1-23(21,22)18-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-17-12-14/h2-8,10,12,15,18H,9,11H2,1H3,(H,19,20)/t15-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-yl)butanamide |
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 | | M0G | | Name: | (2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide | | Formula: | C16 H17 Cl N2 O2 | | SMILES: | O=C(Nc1cnccc1C)C(O)(CC)c1cccc(Cl)c1 | | InChi: | InChI=1S/C16H17ClN2O2/c1-3-16(21,12-5-4-6-13(17)9-12)15(20)19-14-10-18-8-7-11(14)2/h4-10,21H,3H2,1-2H3,(H,19,20)/t16-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide |
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 | | 2SO | | Name: | 3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine | | Formula: | C24 H38 N3 O4 | | SMILES: | O=C(O)C(N)Cc1c[n+](cn1CCCCCCCCc2ccccc2)CCC(O)CO | | InChi: | InChI=1S/C24H37N3O4/c25-23(24(30)31)16-21-17-26(15-13-22(29)18-28)19-27(21)14-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,17,19,22-23,28-29H,1-4,6,9-10,13-16,18,25H2/p+1/t22-,23+/m1/s1 | | Definition date: | 2014-01-23 | | Last modified: | 2023-11-03 | | Release date: | 2014-01-29 | | Identifier: | 3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine |
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 | | M0X | | Name: | 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide | | Formula: | C21 H21 N5 O S | | SMILES: | O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(cc1)N(C)C | | InChi: | InChI=1S/C21H21N5OS/c1-24(2)17-7-9-18(10-8-17)25(13-16-11-12-28-15-16)21(27)14-26-20-6-4-3-5-19(20)22-23-26/h3-12,15H,13-14H2,1-2H3 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide |
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 | | 2TY | | Name: | 2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE | | Formula: | C17 H18 N2 O4 | | SMILES: | O=C(O)C(N)Cc2cc(N=CCc1ccccc1)c(O)cc2O | | InChi: | InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1 | | Definition date: | 2005-07-07 | | Last modified: | 2023-11-03 | | Identifier: | 2-hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine |
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 | | M26 | | Name: | N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide | | Formula: | C19 H18 Br F N2 O3 | | SMILES: | Brc1cccc(c1)C(COC)NC(=O)CC1c2cc(F)ccc2NC1=O | | InChi: | InChI=1S/C19H18BrFN2O3/c1-26-10-17(11-3-2-4-12(20)7-11)22-18(24)9-15-14-8-13(21)5-6-16(14)23-19(15)25/h2-8,15,17H,9-10H2,1H3,(H,22,24)(H,23,25)/t15-,17-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide |
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 | | 2UE | | Name: | 1-[4-(2-oxoethyl)benzyl]guanidine | | Formula: | C10 H13 N3 O | | SMILES: | C(c1ccc(cc1)CNC(N)=[N@H])C=O | | InChi: | InChI=1S/C10H13N3O/c11-10(12)13-7-9-3-1-8(2-4-9)5-6-14/h1-4,6H,5,7H2,(H4,11,12,13) | | Definition date: | 2015-06-22 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-01 | | Identifier: | 1-[4-(2-oxoethyl)benzyl]guanidine |
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 | | M2X | | Name: | (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C15 H16 Br N3 O2 | | SMILES: | O=C(Nc1cnccc1C)C(N)c1cc(Br)ccc1OC | | InChi: | InChI=1S/C15H16BrN3O2/c1-9-5-6-18-8-12(9)19-15(20)14(17)11-7-10(16)3-4-13(11)21-2/h3-8,14H,17H2,1-2H3,(H,19,20)/t14-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | M3V | | Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C16 H16 N4 O4 | | SMILES: | NC(C2=NC(=[C@H]c1ccc(cc1)C#N)C(N2CC(O)=O)=O)C(O)C | | InChi: | InChI=1S/C16H16N4O4/c1-9(21)14(18)15-19-12(16(24)20(15)8-13(22)23)6-10-2-4-11(7-17)5-3-10/h2-6,9,14,21H,8,18H2,1H3,(H,22,23)/b12-6-/t9-,14+/m1/s1 | | Definition date: | 2019-03-21 | | Last modified: | 2023-11-03 | | Release date: | 2020-08-05 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | M4L | | Name: | (2S)-2-(3-bromophenyl)-2-hydroxy-N-(4-methoxypyridin-3-yl)acetamide | | Formula: | C14 H13 Br N2 O3 | | SMILES: | O=C(Nc1cnccc1OC)C(O)c1cccc(Br)c1 | | InChi: | InChI=1S/C14H13BrN2O3/c1-20-12-5-6-16-8-11(12)17-14(19)13(18)9-3-2-4-10(15)7-9/h2-8,13,18H,1H3,(H,17,19)/t13-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-2-(3-bromophenyl)-2-hydroxy-N-(4-methoxypyridin-3-yl)acetamide |
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 | | M50 | | Name: | 2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide | | Formula: | C13 H12 Cl N3 O | | SMILES: | Cc1cnncc1NC(=O)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C13H12ClN3O/c1-9-7-15-16-8-12(9)17-13(18)6-10-3-2-4-11(14)5-10/h2-5,7-8H,6H2,1H3,(H,15,17,18) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide |
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 | | M5I | | Name: | N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide | | Formula: | C14 H13 Cl N2 O | | SMILES: | O=C(Cc1cnccc1C)Nc1cccc(Cl)c1 | | InChi: | InChI=1S/C14H13ClN2O/c1-10-5-6-16-9-11(10)7-14(18)17-13-4-2-3-12(15)8-13/h2-6,8-9H,7H2,1H3,(H,17,18) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide |
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 | | M5X | | Name: | (3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide | | Formula: | C8 H8 N2 O4 S | | SMILES: | NS(=O)(=O)c1cc2c(cc1)NC(=O)C2O | | InChi: | InChI=1S/C8H8N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)(H2,9,13,14)/t7-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide |
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 | | M6I | | Name: | N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea | | Formula: | C12 H10 Cl N3 O | | SMILES: | O=C(Nc1cccnc1)Nc1cccc(Cl)c1 | | InChi: | InChI=1S/C12H10ClN3O/c13-9-3-1-4-10(7-9)15-12(17)16-11-5-2-6-14-8-11/h1-8H,(H2,15,16,17) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea |
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 | | M6U | | Name: | N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide | | Formula: | C15 H14 F3 N3 O | | SMILES: | FC(F)(F)c1cccc(CC(=O)Nc2cnccc2CC)n1 | | InChi: | InChI=1S/C15H14F3N3O/c1-2-10-6-7-19-9-12(10)21-14(22)8-11-4-3-5-13(20-11)15(16,17)18/h3-7,9H,2,8H2,1H3,(H,21,22) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide |
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 | | M7X | | Name: | 2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide | | Formula: | C14 H13 Cl N2 O | | SMILES: | O=C(Nc1cc(C)cnc1)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C14H13ClN2O/c1-10-5-13(9-16-8-10)17-14(18)7-11-3-2-4-12(15)6-11/h2-6,8-9H,7H2,1H3,(H,17,18) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide |
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 | | M93 | | Name: | (4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C16 H15 Cl N2 O3 | | SMILES: | OCc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C16H15ClN2O3/c17-11-1-2-15-13(7-11)12(4-6-22-15)16(21)19-14-8-18-5-3-10(14)9-20/h1-3,5,7-8,12,20H,4,6,9H2,(H,19,21)/t12-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | M9P | | Name: | amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium | | Formula: | C7 H16 F3 N4 O | | SMILES: | FC(F)(F)C(O)C(N)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1 | | Definition date: | 2013-09-18 | | Last modified: | 2023-11-03 | | Release date: | 2014-07-08 | | Identifier: | amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium |
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 | | M9U | | Name: | (4S)-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-/m0/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | 32L | | Name: | ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate | | Formula: | C10 H21 N O3 | | SMILES: | O=C(OCC)CC(O)C(N)CC(C)C | | InChi: | InChI=1S/C10H21NO3/c1-4-14-10(13)6-9(12)8(11)5-7(2)3/h7-9,12H,4-6,11H2,1-3H3/t8-,9-/m0/s1 | | Definition date: | 2014-05-27 | | Last modified: | 2023-11-03 | | Release date: | 2014-06-04 | | Identifier: | ethyl (3S,4S)-4-amino-3-hydroxy-6-methylheptanoate |
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