 | | R87 | | Name: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C20 H16 Cl F N2 O3 | | SMILES: | Fc1ccc2c(c1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC | | InChi: | InChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-5-2-13(21)9-16(18)20)19(25)24-17-11-23-10-12-8-14(22)3-4-15(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | R8I | | Name: | (4S)-6-chloro-2-{2-[(cyanomethyl)amino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H20 Cl N5 O2 | | SMILES: | N#CCNC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H20ClN5O2/c24-17-6-5-16-12-29(14-22(30)27-8-7-25)13-20(19(16)9-17)23(31)28-21-11-26-10-15-3-1-2-4-18(15)21/h1-6,9-11,20H,8,12-14H2,(H,27,30)(H,28,31)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-{2-[(cyanomethyl)amino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | R8O | | Name: | (4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H23 Cl N4 O2 | | SMILES: | Clc1ccc2CN(CC(c2c1)C(=O)Nc1cncc2ccccc21)CC(=O)NC1CC1 | | InChi: | InChI=1S/C24H23ClN4O2/c25-17-6-5-16-12-29(14-23(30)27-18-7-8-18)13-21(20(16)9-17)24(31)28-22-11-26-10-15-3-1-2-4-19(15)22/h1-6,9-11,18,21H,7-8,12-14H2,(H,27,30)(H,28,31)/t21-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | R8X | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2-methoxyethyl)(methyl)sulfamoyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H25 Cl N4 O4 S | | SMILES: | COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H25ClN4O4S/c1-27(9-10-32-2)33(30,31)28-14-17-7-8-18(24)11-20(17)21(15-28)23(29)26-22-13-25-12-16-5-3-4-6-19(16)22/h3-8,11-13,21H,9-10,14-15H2,1-2H3,(H,26,29)/t21-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2-methoxyethyl)(methyl)sulfamoyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | R95 | | Name: | (4S)-6-chloro-2-[(cyanomethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H20 Cl N5 O3 S | | SMILES: | N#CCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H20ClN5O3S/c1-27(9-8-24)32(30,31)28-13-16-6-7-17(23)10-19(16)20(14-28)22(29)26-21-12-25-11-15-4-2-3-5-18(15)21/h2-7,10-12,20H,9,13-14H2,1H3,(H,26,29)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[(cyanomethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | R9E | | Name: | 2-(3-chlorophenyl)-N-(7-fluoro-6-methoxyisoquinolin-4-yl)acetamide | | Formula: | C18 H14 Cl F N2 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(F)c(cc21)OC | | InChi: | InChI=1S/C18H14ClFN2O2/c1-24-17-8-14-12(7-15(17)20)9-21-10-16(14)22-18(23)6-11-3-2-4-13(19)5-11/h2-5,7-10H,6H2,1H3,(H,22,23) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(7-fluoro-6-methoxyisoquinolin-4-yl)acetamide |
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 | | R9I | | Name: | methyl N-[(4S)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl]-N-methylglycinate | | Formula: | C23 H23 Cl N4 O5 S | | SMILES: | O=C(OC)CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H23ClN4O5S/c1-27(14-22(29)33-2)34(31,32)28-12-16-7-8-17(24)9-19(16)20(13-28)23(30)26-21-11-25-10-15-5-3-4-6-18(15)21/h3-11,20H,12-14H2,1-2H3,(H,26,30)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | methyl N-[(4S)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl]-N-methylglycinate |
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 | | R9R | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,1-dioxo-1lambda~6~-thietan-3-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H24 Cl N3 O5 S2 | | SMILES: | O=S(=O)(CC1(C)CS(=O)(=O)C1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C24H24ClN3O5S2/c1-24(13-34(30,31)14-24)15-35(32,33)28-11-17-6-7-18(25)8-20(17)21(12-28)23(29)27-22-10-26-9-16-4-2-3-5-19(16)22/h2-10,21H,11-15H2,1H3,(H,27,29)/t21-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,1-dioxo-1lambda~6~-thietan-3-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | R9Z | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H24 Cl N3 O4 S | | SMILES: | COC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C24H24ClN3O4S/c1-32-24(8-9-24)15-33(30,31)28-13-17-6-7-18(25)10-20(17)21(14-28)23(29)27-22-12-26-11-16-4-2-3-5-19(16)22/h2-7,10-12,21H,8-9,13-15H2,1H3,(H,27,29)/t21-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RAQ | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C25 H26 Cl N3 O4 S | | SMILES: | O=S(=O)(CC1CCOCC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C25H26ClN3O4S/c26-20-6-5-19-14-29(34(31,32)16-17-7-9-33-10-8-17)15-23(22(19)11-20)25(30)28-24-13-27-12-18-3-1-2-4-21(18)24/h1-6,11-13,17,23H,7-10,14-16H2,(H,28,30)/t23-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RBM | | Name: | (4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H22 Cl N5 O3 S | | SMILES: | N#CCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H22ClN5O3S/c1-28(10-4-9-25)33(31,32)29-14-17-7-8-18(24)11-20(17)21(15-29)23(30)27-22-13-26-12-16-5-2-3-6-19(16)22/h2-3,5-8,11-13,21H,4,10,14-15H2,1H3,(H,27,30)/t21-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RBX | | Name: | (4S)-6-chloro-2-[ethyl(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H23 Cl N4 O3 S | | SMILES: | CCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H23ClN4O3S/c1-3-26(2)31(29,30)27-13-16-8-9-17(23)10-19(16)20(14-27)22(28)25-21-12-24-11-15-6-4-5-7-18(15)21/h4-12,20H,3,13-14H2,1-2H3,(H,25,28)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[ethyl(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RC7 | | Name: | 2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | | Formula: | C17 H14 N4 O4 | | SMILES: | OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3 | | InChi: | InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7- | | Synonyms: | RED CHROMOPHORE (HIS-TYR-GLY) | | Definition date: | 2007-03-23 | | Last modified: | 2023-11-03 | | Identifier: | 2-[(4~{Z})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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 | | RC9 | | Name: | (4S)-6-chloro-2-[(1-cyanocyclobutyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C25 H23 Cl N4 O3 S | | SMILES: | N#CC1(CCC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C25H23ClN4O3S/c26-19-7-6-18-13-30(34(32,33)16-25(15-27)8-3-9-25)14-22(21(18)10-19)24(31)29-23-12-28-11-17-4-1-2-5-20(17)23/h1-2,4-7,10-12,22H,3,8-9,13-14,16H2,(H,29,31)/t22-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[(1-cyanocyclobutyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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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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 | | D8R | | Name: | (2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid | | Formula: | C9 H18 N2 O4 | | SMILES: | C[CH](O)C(=O)NCCCC[CH](N)C(O)=O | | InChi: | InChI=1S/C9H18N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6-,7+/m1/s1 | | Definition date: | 2022-04-11 | | Last modified: | 2023-11-03 | | Release date: | 2023-05-10 | | Identifier: | (2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid |
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 | | DAH | | Name: | 3,4-DIHYDROXYPHENYLALANINE | | Formula: | C9 H11 N O4 | | SMILES: | O=C(O)C(N)Cc1cc(O)c(O)cc1 | | InChi: | InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 | | Synonyms: | L-DOPA | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 3-hydroxy-L-tyrosine |
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 | | DAV | | Name: | DELTA-AMINO VALERIC ACID | | Formula: | C5 H12 N O2 | | SMILES: | O=C(O)CCCC[NH3+] | | InChi: | InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)/p+1 | | Definition date: | 1999-09-15 | | Last modified: | 2023-11-03 | | Identifier: | 4-carboxybutan-1-aminium |
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 | | DBH | | Name: | 2,3-DIHYDROXY-BENZOIC ACID | | Formula: | C7 H6 O4 | | SMILES: | O=C(O)c1cccc(O)c1O | | InChi: | InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11) | | Definition date: | 2002-03-20 | | Last modified: | 2023-11-03 | | Identifier: | 2,3-dihydroxybenzoic acid |
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 | | DBY | | Name: | 3,5 DIBROMOTYROSINE | | Formula: | C9 H9 Br2 N O3 | | SMILES: | Brc1cc(cc(Br)c1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 3,5-dibromo-L-tyrosine |
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 | | DBZ | | Name: | 3-(BENZOYLAMINO)-L-ALANINE | | Formula: | C10 H12 N2 O3 | | SMILES: | O=C(NCC(C(=O)O)N)c1ccccc1 | | InChi: | InChI=1S/C10H12N2O3/c11-8(10(14)15)6-12-9(13)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)(H,14,15)/t8-/m0/s1 | | Definition date: | 2004-03-14 | | Last modified: | 2023-11-03 | | Identifier: | 3-[(phenylcarbonyl)amino]-L-alanine |
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 | | DC0 | | Name: | N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine | | Formula: | C15 H24 N2 O2 | | SMILES: | O=C(O)C(NCC(N)CC(C)C)Cc1ccccc1 | | InChi: | InChI=1S/C15H24N2O2/c1-11(2)8-13(16)10-17-14(15(18)19)9-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10,16H2,1-2H3,(H,18,19)/t13-,14-/m0/s1 | | Definition date: | 2010-10-09 | | Last modified: | 2023-11-03 | | Identifier: | N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine |
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 | | 99Y | | Name: | 4-carboxy-D-phenylalanine | | Formula: | C10 H11 N O4 | | SMILES: | C(N)(Cc1ccc(C(=O)O)cc1)C(=O)O | | InChi: | InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m1/s1 | | Definition date: | 2017-04-11 | | Last modified: | 2023-11-03 | | Release date: | 2017-11-15 | | Identifier: | 4-carboxy-D-phenylalanine |
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 | | DDZ | | Name: | 3,3-DIHYDROXY L-ALANINE | | Formula: | C3 H7 N O4 | | SMILES: | O=C(O)C(N)C(O)O | | InChi: | InChI=1S/C3H7NO4/c4-1(2(5)6)3(7)8/h1-2,5-6H,4H2,(H,7,8)/t1-/m0/s1 | | Synonyms: | 3-HYDROXY-L-SERINE | | Definition date: | 2000-06-06 | | Last modified: | 2023-11-03 | | Identifier: | 3-hydroxy-L-serine |
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