 | | PSH | | Name: | 1-thiophosphono-L-histidine | | Formula: | C6 H10 N3 O4 P S | | SMILES: | O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O | | InChi: | InChI=1S/C6H10N3O4PS/c7-5(6(10)11)1-4-2-9(3-8-4)14(12,13)15/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,15)/t5-/m0/s1 | | Definition date: | 2007-09-28 | | Last modified: | 2023-11-03 | | Identifier: | 1-thiophosphono-L-histidine |
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 | | PTH | | Name: | CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE | | Formula: | C10 H14 N O7 P | | SMILES: | O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O | | InChi: | InChI=1S/C10H14NO7P/c11-8(10(13)14)4-6-1-2-9(7(3-6)5-12)18-19(15,16)17/h1-3,8,12H,4-5,11H2,(H,13,14)(H2,15,16,17)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 3-(hydroxymethyl)-O-phosphono-L-tyrosine |
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 | | PTM | | Name: | ALPHA-METHYL-O-PHOSPHOTYROSINE | | Formula: | C10 H14 N O6 P | | SMILES: | O=P(Oc1ccc(cc1)CC(C(=O)O)(N)C)(O)O | | InChi: | InChI=1S/C10H14NO6P/c1-10(11,9(12)13)6-7-2-4-8(5-3-7)17-18(14,15)16/h2-5H,6,11H2,1H3,(H,12,13)(H2,14,15,16)/t10-/m0/s1 | | Definition date: | 2001-09-19 | | Last modified: | 2023-11-03 | | Identifier: | alpha-methyl-O-phosphono-L-tyrosine |
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 | | PTR | | Name: | O-PHOSPHOTYROSINE | | Formula: | C9 H12 N O6 P | | SMILES: | O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O | | InChi: | InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | | Synonyms: | PHOSPHONOTYROSINE | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | O-phosphono-L-tyrosine |
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 | | PUK | | Name: | N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine | | Formula: | C18 H22 N2 O2 | | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1 | | Definition date: | 2009-02-06 | | Last modified: | 2023-11-03 | | Identifier: | N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine |
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 | | PUU | | Name: | (4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C21 H18 Cl N3 O2 | | SMILES: | CC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C21H18ClN3O2/c1-13(26)25-9-8-17(18-10-15(22)6-7-20(18)25)21(27)24-19-12-23-11-14-4-2-3-5-16(14)19/h2-7,10-12,17H,8-9H2,1H3,(H,24,27)/t17-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | PVR | | Name: | 2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide | | Formula: | C16 H22 N4 O2 | | SMILES: | O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C1CC1 | | InChi: | InChI=1S/C16H22N4O2/c1-12(21)20-8-6-19(7-9-20)11-16(22)18-15-10-17-5-4-14(15)13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,18,22) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide |
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 | | QD4 | | Name: | (4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide | | Formula: | C20 H17 Cl N4 O2 | | SMILES: | NC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H17ClN4O2/c21-13-5-6-18-16(9-13)15(7-8-25(18)20(22)27)19(26)24-17-11-23-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H2,22,27)(H,24,26)/t15-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide |
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 | | QD9 | | Name: | N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide | | Formula: | C25 H23 Cl N4 O | | SMILES: | CN(C)c1cnc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cc1cncc2ccccc21 | | InChi: | InChI=1S/C25H23ClN4O/c1-29(2)22-10-11-24(28-16-22)30(17-18-6-5-8-21(26)12-18)25(31)13-20-15-27-14-19-7-3-4-9-23(19)20/h3-12,14-16H,13,17H2,1-2H3 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide |
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 | | QDF | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C19 H14 Cl N3 O2 | | SMILES: | Clc1ccc2NC(=O)CC(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H14ClN3O2/c20-12-5-6-16-14(7-12)15(8-18(24)22-16)19(25)23-17-10-21-9-11-3-1-2-4-13(11)17/h1-7,9-10,15H,8H2,(H,22,24)(H,23,25)/t15-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | QDU | | Name: | 2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H12 F2 N2 O | | SMILES: | Fc1cc(CC(=O)Nc2cncc3ccccc32)c(F)cc1 | | InChi: | InChI=1S/C17H12F2N2O/c18-13-5-6-15(19)12(7-13)8-17(22)21-16-10-20-9-11-3-1-2-4-14(11)16/h1-7,9-10H,8H2,(H,21,22) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | QE3 | | Name: | 2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C16 H12 Cl N3 O | | SMILES: | O=C(Cc1ccc(Cl)cn1)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C16H12ClN3O/c17-12-5-6-13(19-9-12)7-16(21)20-15-10-18-8-11-3-1-2-4-14(11)15/h1-6,8-10H,7H2,(H,20,21) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
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 | | QER | | Name: | 2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H13 F N2 O | | SMILES: | Fc1cccc(c1)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H13FN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h1-8,10-11H,9H2,(H,20,21) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | QEX | | Name: | N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide | | Formula: | C18 H16 N2 O | | SMILES: | Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C18H16N2O/c1-13-5-4-6-14(9-13)10-18(21)20-17-12-19-11-15-7-2-3-8-16(15)17/h2-9,11-12H,10H2,1H3,(H,20,21) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide |
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 | | QF0 | | Name: | (3S)-3-amino-4-(naphthalen-2-yl)butanoic acid | | Formula: | C14 H15 N O2 | | SMILES: | O=C(O)CC(N)Cc1ccc2ccccc2c1 | | InChi: | InChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1 | | Definition date: | 2022-06-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-06-14 | | Identifier: | (3S)-3-amino-4-(naphthalen-2-yl)butanoic acid |
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 | | QF5 | | Name: | N-(isoquinolin-4-yl)-2-phenylacetamide | | Formula: | C17 H14 N2 O | | SMILES: | O=C(Cc1ccccc1)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H14N2O/c20-17(10-13-6-2-1-3-7-13)19-16-12-18-11-14-8-4-5-9-15(14)16/h1-9,11-12H,10H2,(H,19,20) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(isoquinolin-4-yl)-2-phenylacetamide |
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 | | QF9 | | Name: | 2-(3-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C18 H12 Cl N3 O | | SMILES: | N#Cc1cc(cc(Cl)c1)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C18H12ClN3O/c19-15-6-12(5-13(7-15)9-20)8-18(23)22-17-11-21-10-14-3-1-2-4-16(14)17/h1-7,10-11H,8H2,(H,22,23) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | QFG | | Name: | {(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C16 H16 N4 O4 | | SMILES: | O=C1C(N=C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=C/c2ccccc2 | | InChi: | InChI=1S/C16H16N4O4/c17-11(6-7-13(18)21)15-19-12(8-10-4-2-1-3-5-10)16(24)20(15)9-14(22)23/h1-5,8,17H,6-7,9H2,(H2,18,21)(H,22,23)/b12-8+,17-11+ | | Synonyms: | CHROMOPHORE (GLN-PHE-GLY) | | Definition date: | 2011-10-13 | | Last modified: | 2023-11-03 | | Identifier: | {(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | QFL | | Name: | 2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H13 F N2 O | | SMILES: | Fc1ccc(cc1)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H13FN2O/c18-14-7-5-12(6-8-14)9-17(21)20-16-11-19-10-13-3-1-2-4-15(13)16/h1-8,10-11H,9H2,(H,20,21) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | QFU | | Name: | 2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C18 H13 N3 O | | SMILES: | N#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C18H13N3O/c19-10-14-5-3-4-13(8-14)9-18(22)21-17-12-20-11-15-6-1-2-7-16(15)17/h1-8,11-12H,9H2,(H,21,22) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | QG3 | | Name: | 2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H12 F2 N2 O | | SMILES: | Fc1cc(cc(F)c1)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H12F2N2O/c18-13-5-11(6-14(19)8-13)7-17(22)21-16-10-20-9-12-3-1-2-4-15(12)16/h1-6,8-10H,7H2,(H,21,22) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | QGC | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C22 H19 Cl N6 O | | SMILES: | Clc1ccc2c(c1)C(CCN2Cc1nnc[NH]1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H19ClN6O/c23-15-5-6-20-18(9-15)17(7-8-29(20)12-21-25-13-26-28-21)22(30)27-19-11-24-10-14-3-1-2-4-16(14)19/h1-6,9-11,13,17H,7-8,12H2,(H,27,30)(H,25,26,28)/t17-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | QGO | | Name: | (4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C23 H22 Cl N3 O3 | | SMILES: | CN(C)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H22ClN3O3/c1-27(2)21(28)12-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)26-19-14-25-13-15-5-3-4-6-17(15)19/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,26,29)/t23-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | QGX | | Name: | (2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H13 Cl2 N3 O | | SMILES: | Clc1ccc(cc1Cl)C(N)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H13Cl2N3O/c18-13-6-5-10(7-14(13)19)16(20)17(23)22-15-9-21-8-11-3-1-2-4-12(11)15/h1-9,16H,20H2,(H,22,23)/t16-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | QH6 | | Name: | 2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H12 Cl F N2 O | | SMILES: | Fc1ccc(cc1Cl)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H12ClFN2O/c18-14-7-11(5-6-15(14)19)8-17(22)21-16-10-20-9-12-3-1-2-4-13(12)16/h1-7,9-10H,8H2,(H,21,22) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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