 | | QZC | | Name: | (4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C21 H21 Cl N4 O3 S | | SMILES: | CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C21H21ClN4O3S/c1-25(2)30(28,29)26-12-15-7-8-16(22)9-18(15)19(13-26)21(27)24-20-11-23-10-14-5-3-4-6-17(14)20/h3-11,19H,12-13H2,1-2H3,(H,24,27)/t19-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | QZL | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H25 Cl N4 O3 S | | SMILES: | O=S(=O)(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)N1CCC(C)C1 | | InChi: | InChI=1S/C24H25ClN4O3S/c1-16-8-9-28(13-16)33(31,32)29-14-18-6-7-19(25)10-21(18)22(15-29)24(30)27-23-12-26-11-17-4-2-3-5-20(17)23/h2-7,10-12,16,22H,8-9,13-15H2,1H3,(H,27,30)/t16-,22-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | QZU | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C23 H20 Cl N3 O3 | | SMILES: | C=CC(=O)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H20ClN3O3/c1-2-21(28)26-14-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)27-19-13-25-12-15-5-3-4-6-17(15)19/h2-8,11-13H,1,9-10,14H2,(H,26,28)(H,27,29)/t23-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | R08 | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H20 Cl N5 O2 | | SMILES: | O=C(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)c1ccnn1C | | InChi: | InChI=1S/C24H20ClN5O2/c1-29-22(8-9-27-29)24(32)30-13-16-6-7-17(25)10-19(16)20(14-30)23(31)28-21-12-26-11-15-4-2-3-5-18(15)21/h2-12,20H,13-14H2,1H3,(H,28,31)/t20-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | 3AZ | | Name: | 3-(aminomethyl)benzoic acid | | Formula: | C8 H9 N O2 | | SMILES: | O=C(O)c1cccc(c1)CN | | InChi: | InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11) | | Definition date: | 2010-10-14 | | Last modified: | 2023-11-03 | | Identifier: | 3-(aminomethyl)benzoic acid |
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 | | R0K | | Name: | (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid | | Formula: | C11 H18 N2 O7 | | SMILES: | N[CH](CCC(=O)N[CH](CCCC(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C11H18N2O7/c12-6(10(17)18)4-5-8(14)13-7(11(19)20)2-1-3-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1 | | Definition date: | 2023-03-29 | | Last modified: | 2023-11-03 | | Release date: | 2023-04-05 | | Identifier: | (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid |
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 | | R0Q | | Name: | methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate | | Formula: | C22 H20 Cl N3 O4 | | SMILES: | O=C(OC)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H20ClN3O4/c1-29-21(28)25-13-22(8-9-30-19-7-6-15(23)10-17(19)22)20(27)26-18-12-24-11-14-4-2-3-5-16(14)18/h2-7,10-12H,8-9,13H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate |
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 | | 3BY | | Name: | 1-methyl-L-proline | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1CCCN1C | | InChi: | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1 | | Definition date: | 2014-07-23 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-15 | | Identifier: | 1-methyl-L-proline |
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 | | R1I | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H22 Cl N3 O2 | | SMILES: | Clc1ccc2CN(CC(c2c1)C(=O)Nc1cncc2ccccc21)CCOC | | InChi: | InChI=1S/C22H22ClN3O2/c1-28-9-8-26-13-16-6-7-17(23)10-19(16)20(14-26)22(27)25-21-12-24-11-15-4-2-3-5-18(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,25,27)/t20-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | R1U | | Name: | 2-(3-chlorophenyl)-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide | | Formula: | C15 H13 Cl N4 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cnn(C)c12 | | InChi: | InChI=1S/C15H13ClN4O/c1-20-15-11(8-18-20)7-17-9-13(15)19-14(21)6-10-3-2-4-12(16)5-10/h2-5,7-9H,6H2,1H3,(H,19,21) | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide |
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 | | 3CF | | Name: | 3-cyano-L-phenylalanine | | Formula: | C10 H10 N2 O2 | | SMILES: | O=C(O)C(N)Cc1cccc(C#N)c1 | | InChi: | InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2010-09-07 | | Last modified: | 2023-11-03 | | Identifier: | 3-cyano-L-phenylalanine |
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 | | 3CT | | Name: | 3-chloro-L-tyrosine | | Formula: | C9 H10 Cl N O3 | | SMILES: | Clc1cc(ccc1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 | | Definition date: | 2013-12-18 | | Last modified: | 2023-11-03 | | Release date: | 2015-08-19 | | Identifier: | 3-chloro-L-tyrosine |
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 | | R2L | | Name: | (4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C17 H18 Cl N3 O2 | | SMILES: | Cc1c(NC)cncc1NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C17H18ClN3O2/c1-10-14(19-2)8-20-9-15(10)21-17(22)12-5-6-23-16-4-3-11(18)7-13(12)16/h3-4,7-9,12,19H,5-6H2,1-2H3,(H,21,22)/t12-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | R2T | | Name: | beta,gamma-dihydroxyglutamine | | Formula: | C5 H10 N2 O5 | | SMILES: | O=C(N)C(O)C(O)C(C(=O)O)N | | InChi: | InChI=1S/C5H10N2O5/c6-1(5(11)12)2(8)3(9)4(7)10/h1-3,8-9H,6H2,(H2,7,10)(H,11,12)/t1-,2+,3-/m0/s1 | | Definition date: | 2014-01-29 | | Last modified: | 2023-11-03 | | Release date: | 2014-05-07 | | Identifier: | (2S,3R,4S)-2,5-diamino-3,4-dihydroxy-5-oxopentanoic acid (non-preferred name) |
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 | | R2X | | Name: | (2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name) | | Formula: | C27 H27 Cl N4 O4 | | SMILES: | O=C(NC(c1cccc(Cl)c1)C(=O)Nc1cncc2ccccc21)C1CCC(O1)C(=O)N1CCCC1 | | InChi: | InChI=1S/C27H27ClN4O4/c28-19-8-5-7-17(14-19)24(26(34)30-21-16-29-15-18-6-1-2-9-20(18)21)31-25(33)22-10-11-23(36-22)27(35)32-12-3-4-13-32/h1-2,5-9,14-16,22-24H,3-4,10-13H2,(H,30,34)(H,31,33)/t22-,23+,24+/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name) |
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 | | ONU | | Name: | 4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one | | Formula: | C20 H19 N3 O3 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CC(Nc2ccccc2OC)C1 | | InChi: | InChI=1S/C20H19N3O3/c1-26-18-9-5-4-8-17(18)21-13-11-23(12-13)20(25)15-10-19(24)22-16-7-3-2-6-14(15)16/h2-10,13,21H,11-12H2,1H3,(H,22,24) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one |
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 | | OO1 | | Name: | (4-methylphenyl)carbamic acid | | Formula: | C8 H9 N O2 | | SMILES: | C(O)(=O)Nc1ccc(cc1)C | | InChi: | InChI=1S/C8H9NO2/c1-6-2-4-7(5-3-6)9-8(10)11/h2-5,9H,1H3,(H,10,11) | | Definition date: | 2019-07-01 | | Last modified: | 2023-11-03 | | Release date: | 2019-11-06 | | Identifier: | (4-methylphenyl)carbamic acid |
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 | | OO6 | | Name: | (3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C20 H17 Cl N2 O2 | | SMILES: | Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H17ClN2O2/c1-12-11-25-18-7-6-14(21)8-16(18)19(12)20(24)23-17-10-22-9-13-4-2-3-5-15(13)17/h2-10,12,19H,11H2,1H3,(H,23,24)/t12-,19-/m1/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | OOL | | Name: | (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine | | Formula: | C7 H9 N3 O2 | | SMILES: | N=Cc1nc(OC)cc(OC)n1 | | InChi: | InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+ | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine |
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 | | 3FB | | Name: | (3S)-3-AMINO-4-PHENYLBUTANOIC ACID | | Formula: | C10 H13 N O2 | | SMILES: | O=C(O)CC(N)Cc1ccccc1 | | InChi: | InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 2002-08-05 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3-amino-4-phenylbutanoic acid |
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 | | 3FG | | Name: | (2S)-amino(3,5-dihydroxyphenyl)ethanoic 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-/m0/s1 | | Definition date: | 2009-03-27 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-amino(3,5-dihydroxyphenyl)ethanoic acid |
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 | | OPU | | Name: | (4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C17 H15 Cl N4 O2 | | SMILES: | Cc1ccn2cnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C17H15ClN4O2/c1-10-4-6-22-9-19-21-16(22)15(10)20-17(23)12-5-7-24-14-3-2-11(18)8-13(12)14/h2-4,6,8-9,12H,5,7H2,1H3,(H,20,23)/t12-/m1/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | OQF | | Name: | 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide | | Formula: | C20 H20 N6 O S | | SMILES: | O=C(Cn1nnc2ccccc21)N(Cc1cscn1)c1ccc(cc1)N(C)C | | InChi: | InChI=1S/C20H20N6OS/c1-24(2)16-7-9-17(10-8-16)25(11-15-13-28-14-21-15)20(27)12-26-19-6-4-3-5-18(19)22-23-26/h3-10,13-14H,11-12H2,1-2H3 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide |
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 | | OQL | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C19 H16 Cl N3 O | | SMILES: | Clc1ccc2NCCC(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H16ClN3O/c20-13-5-6-17-16(9-13)15(7-8-22-17)19(24)23-18-11-21-10-12-3-1-2-4-14(12)18/h1-6,9-11,15,22H,7-8H2,(H,23,24)/t15-/m1/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | OQX | | Name: | 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide | | Formula: | C22 H19 Cl N4 O2 | | SMILES: | COc1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21 | | InChi: | InChI=1S/C22H19ClN4O2/c1-29-19-11-9-18(10-12-19)26(14-16-5-4-6-17(23)13-16)22(28)15-27-21-8-3-2-7-20(21)24-25-27/h2-13H,14-15H2,1H3 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide |
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