![R3I R3I](https://data.pdbj.org/pdbjplus/data/cc/svg/R3I.svg) | R3I | Name: | (3S)-5-chloro-1'-(6-fluoroisoquinolin-4-yl)-2H-spiro[[1]benzofuran-3,3'-pyrrolidin]-2'-one | Formula: | C20 H14 Cl F N2 O2 | SMILES: | Fc1cc2c(cc1)cncc2N1CCC2(COc3ccc(Cl)cc32)C1=O | InChi: | InChI=1S/C20H14ClFN2O2/c21-13-2-4-18-16(7-13)20(11-26-18)5-6-24(19(20)25)17-10-23-9-12-1-3-14(22)8-15(12)17/h1-4,7-10H,5-6,11H2/t20-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (3S)-5-chloro-1'-(6-fluoroisoquinolin-4-yl)-2H-spiro[[1]benzofuran-3,3'-pyrrolidin]-2'-one |
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![R43 R43](https://data.pdbj.org/pdbjplus/data/cc/svg/R43.svg) | R43 | Name: | (4S)-6-chloro-2-(3-cyanoazetidine-1-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C23 H20 Cl N5 O3 S | SMILES: | N#CC1CN(C1)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C23H20ClN5O3S/c24-18-6-5-17-13-29(33(31,32)28-11-15(8-25)12-28)14-21(20(17)7-18)23(30)27-22-10-26-9-16-3-1-2-4-19(16)22/h1-7,9-10,15,21H,11-14H2,(H,27,30)/t21-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-2-(3-cyanoazetidine-1-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![R4K R4K](https://data.pdbj.org/pdbjplus/data/cc/svg/R4K.svg) | R4K | Name: | (2S,3R)-2-azanyl-3-hydroxy-3-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propanoic acid | Formula: | C11 H12 N2 O5 | SMILES: | O=C(O)C(N)C(O)C2(O)c1ccccc1NC2=O | InChi: | InChI=1S/C11H12N2O5/c12-7(9(15)16)8(14)11(18)5-3-1-2-4-6(5)13-10(11)17/h1-4,7-8,14,18H,12H2,(H,13,17)(H,15,16)/t7-,8+,11-/m0/s1 | Definition date: | 2011-03-25 | Last modified: | 2023-11-03 | Identifier: | (3R)-3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-serine |
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![R4X R4X](https://data.pdbj.org/pdbjplus/data/cc/svg/R4X.svg) | R4X | Name: | (4S)-2-(azetidine-1-sulfonyl)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C22 H21 Cl N4 O3 S | SMILES: | O=S(=O)(N1CCC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C22H21ClN4O3S/c23-17-7-6-16-13-27(31(29,30)26-8-3-9-26)14-20(19(16)10-17)22(28)25-21-12-24-11-15-4-1-2-5-18(15)21/h1-2,4-7,10-12,20H,3,8-9,13-14H2,(H,25,28)/t20-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-2-(azetidine-1-sulfonyl)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![IKJ IKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/IKJ.svg) | IKJ | Name: | (2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid | Formula: | C13 H21 B N O2 P | SMILES: | B[PH]1(CCCC1)c2ccc(C[CH](N)C(O)=O)cc2 | InChi: | InChI=1S/C13H21BNO2P/c14-18(7-1-2-8-18)11-5-3-10(4-6-11)9-12(15)13(16)17/h3-6,12,18H,1-2,7-9,14-15H2,(H,16,17)/t12-/m0/s1 | Synonyms: | P3F | Definition date: | 2022-07-07 | Last modified: | 2023-11-03 | Release date: | 2023-07-26 | Identifier: | (2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid |
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![IO6 IO6](https://data.pdbj.org/pdbjplus/data/cc/svg/IO6.svg) | IO6 | Name: | 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide | Formula: | C12 H16 N2 O5 S2 | SMILES: | CCCCCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O | InChi: | InChI=1S/C12H16N2O5S2/c1-2-3-4-7-14-12(15)10-6-5-9(20(13,16)17)8-11(10)21(14,18)19/h5-6,8H,2-4,7H2,1H3,(H2,13,16,17) | Definition date: | 2023-08-02 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide |
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![IO8 IO8](https://data.pdbj.org/pdbjplus/data/cc/svg/IO8.svg) | IO8 | Name: | 2-[2-(aminomethyl)-4-(1H-indol-3-ylmethyl)-5-oxidanylidene-4H-imidazol-1-yl]ethanoic acid | Formula: | C15 H14 N4 O3 | SMILES: | NCC1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O | InChi: | InChI=1S/C15H14N4O3/c16-6-13-18-12(15(22)19(13)8-14(20)21)5-9-7-17-11-4-2-1-3-10(9)11/h1-5,7,17H,6,8,16H2,(H,20,21)/b12-5- | Synonyms: | CHROMOPHORE (GLY-TRP-GLY) | Definition date: | 2022-04-01 | Last modified: | 2023-11-03 | Release date: | 2022-05-04 | Identifier: | 2-[(4~{Z})-2-(aminomethyl)-4-(1~{H}-indol-3-ylmethylidene)-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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![IQ2 IQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/IQ2.svg) | IQ2 | Name: | 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide | Formula: | C11 H10 N2 O5 S2 | SMILES: | CC#CCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O | InChi: | InChI=1S/C11H10N2O5S2/c1-2-3-6-13-11(14)9-5-4-8(19(12,15)16)7-10(9)20(13,17)18/h4-5,7H,6H2,1H3,(H2,12,15,16) | Definition date: | 2023-08-02 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide |
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![IQE IQE](https://data.pdbj.org/pdbjplus/data/cc/svg/IQE.svg) | IQE | Name: | 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide | Formula: | C15 H14 N2 O5 S2 | SMILES: | N[S](=O)(=O)c1ccc2C(=O)N(CCc3ccccc3)[S](=O)(=O)c2c1 | InChi: | InChI=1S/C15H14N2O5S2/c16-23(19,20)12-6-7-13-14(10-12)24(21,22)17(15(13)18)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,19,20) | Definition date: | 2023-08-02 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide |
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![ITZ ITZ](https://data.pdbj.org/pdbjplus/data/cc/svg/ITZ.svg) | ITZ | Name: | 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid | Formula: | C9 H14 N2 O2 S | SMILES: | NC(c1nc(C(=O)O)cs1)C(CC)C | InChi: | InChI=1S/C9H14N2O2S/c1-3-5(2)7(10)8-11-6(4-14-8)9(12)13/h4-5,7H,3,10H2,1-2H3,(H,12,13)/t5-,7-/m0/s1 | Definition date: | 2019-12-04 | Last modified: | 2023-11-03 | Release date: | 2020-12-02 | Identifier: | 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid |
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![R5H R5H](https://data.pdbj.org/pdbjplus/data/cc/svg/R5H.svg) | R5H | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(3-methoxyazetidine-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C23 H23 Cl N4 O4 S | SMILES: | COC1CN(C1)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C23H23ClN4O4S/c1-32-18-12-28(13-18)33(30,31)27-11-16-6-7-17(24)8-20(16)21(14-27)23(29)26-22-10-25-9-15-4-2-3-5-19(15)22/h2-10,18,21H,11-14H2,1H3,(H,26,29)/t21-/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-(3-methoxyazetidine-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![R5O R5O](https://data.pdbj.org/pdbjplus/data/cc/svg/R5O.svg) | R5O | Name: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C21 H20 Cl N3 O5 S | SMILES: | CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC | InChi: | InChI=1S/C21H20ClN3O5S/c1-29-21(7-8-30-19-6-4-14(22)9-17(19)21)20(26)24-18-12-23-11-13-3-5-15(10-16(13)18)25-31(2,27)28/h3-6,9-12,25H,7-8H2,1-2H3,(H,24,26)/t21-/m0/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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![R66 R66](https://data.pdbj.org/pdbjplus/data/cc/svg/R66.svg) | R66 | Name: | (3R)-3-(3-chlorophenyl)-3-hydroxy-1-(isoquinolin-4-yl)pyrrolidin-2-one | Formula: | C19 H15 Cl N2 O2 | SMILES: | Clc1cccc(c1)C1(O)CCN(c2cncc3ccccc23)C1=O | InChi: | InChI=1S/C19H15ClN2O2/c20-15-6-3-5-14(10-15)19(24)8-9-22(18(19)23)17-12-21-11-13-4-1-2-7-16(13)17/h1-7,10-12,24H,8-9H2/t19-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (3R)-3-(3-chlorophenyl)-3-hydroxy-1-(isoquinolin-4-yl)pyrrolidin-2-one |
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![R6L R6L](https://data.pdbj.org/pdbjplus/data/cc/svg/R6L.svg) | R6L | Name: | (4S)-6-chloro-4-methoxy-N-[7-(methylsulfamoyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C21 H20 Cl N3 O5 S | SMILES: | CNS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC | InChi: | InChI=1S/C21H20ClN3O5S/c1-23-31(27,28)15-4-5-16-13(9-15)11-24-12-18(16)25-20(26)21(29-2)7-8-30-19-6-3-14(22)10-17(19)21/h3-6,9-12,23H,7-8H2,1-2H3,(H,25,26)/t21-/m0/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-4-methoxy-N-[7-(methylsulfamoyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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![R76 R76](https://data.pdbj.org/pdbjplus/data/cc/svg/R76.svg) | R76 | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C22 H19 Cl N4 O3 | SMILES: | CNC(=O)CN1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C22H19ClN4O3/c1-24-20(28)12-27-11-18(17-8-14(23)6-7-16(17)22(27)30)21(29)26-19-10-25-9-13-4-2-3-5-15(13)19/h2-10,18H,11-12H2,1H3,(H,24,28)(H,26,29)/t18-/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-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![R7F R7F](https://data.pdbj.org/pdbjplus/data/cc/svg/R7F.svg) | R7F | Name: | (4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide | Formula: | C22 H22 Cl N3 O2 | SMILES: | CC(C)(O)c1cc2c(cc1)cncc2NC(=O)C1CCNc2ccc(Cl)cc21 | InChi: | InChI=1S/C22H22ClN3O2/c1-22(2,28)14-4-3-13-11-24-12-20(17(13)9-14)26-21(27)16-7-8-25-19-6-5-15(23)10-18(16)19/h3-6,9-12,16,25,28H,7-8H2,1-2H3,(H,26,27)/t16-/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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![R87 R87](https://data.pdbj.org/pdbjplus/data/cc/svg/R87.svg) | 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 R8I](https://data.pdbj.org/pdbjplus/data/cc/svg/R8I.svg) | 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 R8O](https://data.pdbj.org/pdbjplus/data/cc/svg/R8O.svg) | 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 R8X](https://data.pdbj.org/pdbjplus/data/cc/svg/R8X.svg) | 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 R95](https://data.pdbj.org/pdbjplus/data/cc/svg/R95.svg) | 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 R9E](https://data.pdbj.org/pdbjplus/data/cc/svg/R9E.svg) | 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 R9I](https://data.pdbj.org/pdbjplus/data/cc/svg/R9I.svg) | 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 R9R](https://data.pdbj.org/pdbjplus/data/cc/svg/R9R.svg) | 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 R9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/R9Z.svg) | 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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