 | | OZW | | Name: | phenylhydrazinyl phenylalanine | | Formula: | C15 H17 N3 O2 | | SMILES: | N[CH](Cc1ccc(NNc2ccccc2)cc1)C(O)=O | | InChi: | InChI=1S/C15H17N3O2/c16-14(15(19)20)10-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9,14,17-18H,10,16H2,(H,19,20)/t14-/m0/s1 | | Definition date: | 2020-04-13 | | Last modified: | 2023-11-03 | | Release date: | 2020-07-22 | | Identifier: | (2~{S})-2-azanyl-3-[4-(2-phenylhydrazinyl)phenyl]propanoic acid |
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 | | OZX | | Name: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C16 H12 Cl N3 O | | SMILES: | Clc1cccc(CC(=O)Nc2cncc3ccccc32)n1 | | InChi: | InChI=1S/C16H12ClN3O/c17-15-7-3-5-12(19-15)8-16(21)20-14-10-18-9-11-4-1-2-6-13(11)14/h1-7,9-10H,8H2,(H,20,21) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
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 | | 5CT | | Name: | Hypusine | | Formula: | C10 H23 N3 O3 | | SMILES: | C(CCNCC(O)CCN)CC(C(=O)O)N | | InChi: | InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1 | | Synonyms: | N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine | | Definition date: | 2015-09-07 | | Last modified: | 2023-11-03 | | Release date: | 2016-01-20 | | Identifier: | N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine |
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 | | 5CW | | Name: | 5-chloro-L-tryptophan | | Formula: | C11 H11 Cl N2 O2 | | SMILES: | O=C(O)C(N)Cc2c1cc(Cl)ccc1nc2 | | InChi: | InChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1 | | Definition date: | 2013-12-09 | | Last modified: | 2023-11-03 | | Release date: | 2014-03-05 | | Identifier: | 5-chloro-L-tryptophan |
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 | | P0X | | Name: | 4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one | | Formula: | C20 H16 Cl N3 O3 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1 | | InChi: | InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one |
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 | | 5DW | | Name: | 4-ethynyl-L-phenylalanine | | Formula: | C11 H11 N O2 | | SMILES: | C(c1ccc(CC(N)C(=O)O)cc1)#C | | InChi: | InChI=1S/C11H11NO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h1,3-6,10H,7,12H2,(H,13,14)/t10-/m0/s1 | | Definition date: | 2015-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2016-02-03 | | Identifier: | 4-ethynyl-L-phenylalanine |
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 | | P1V | | Name: | (2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid | | Formula: | C9 H16 N4 O2 | | SMILES: | Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1 | | InChi: | InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1 | | Definition date: | 2022-09-29 | | Last modified: | 2023-11-03 | | Release date: | 2023-01-11 | | Identifier: | (2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid |
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 | | 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 | | 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 | | 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 | | 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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 | | 5GG | | Name: | Deoxyhypusine | | Formula: | C10 H23 N3 O2 | | SMILES: | NC(C(=O)O)CCCCNCCCCN | | InChi: | InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1 | | Definition date: | 2015-09-23 | | Last modified: | 2023-11-03 | | Release date: | 2016-01-20 | | Identifier: | N~6~-(4-aminobutyl)-L-lysine |
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 | | 5GM | | Name: | (4S)-2,4-dimethyl-L-norleucine | | Formula: | C8 H17 N O2 | | SMILES: | NC(C(=O)O)(CC(C)CC)C | | InChi: | InChI=1S/C8H17NO2/c1-4-6(2)5-8(3,9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-,8-/m0/s1 | | Definition date: | 2015-09-24 | | Last modified: | 2023-11-03 | | Release date: | 2016-07-20 | | Identifier: | (4S)-2,4-dimethyl-L-norleucine |
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 | | 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 | | 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 | | 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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 | | R6E | | Name: | (2~{R})-2-azanyl-2-ethyl-octanoic acid | | Formula: | C10 H21 N O2 | | SMILES: | CCCCCC[C](N)(CC)C(O)=O | | InChi: | InChI=1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1 | | Definition date: | 2019-05-03 | | Last modified: | 2023-11-03 | | Release date: | 2020-03-18 | | Identifier: | (2~{R})-2-azanyl-2-ethyl-octanoic acid |
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 | | 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 | | 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 | | 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 | | 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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 | | 5JP | | Name: | N-methyl-L-serine | | Formula: | C4 H9 N O3 | | SMILES: | O=C(O)C(CO)NC | | InChi: | InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1 | | Definition date: | 2015-10-02 | | Last modified: | 2023-11-03 | | Release date: | 2015-10-28 | | Identifier: | N-methyl-L-serine |
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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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