| RKC | Name: | (3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidin]-2'-one | Formula: | C21 H17 Cl N2 O2 | SMILES: | Clc1ccc2OCCC3(CCN(C3=O)c3cncc4ccccc43)c2c1 | InChi: | InChI=1S/C21H17ClN2O2/c22-15-5-6-19-17(11-15)21(8-10-26-19)7-9-24(20(21)25)18-13-23-12-14-3-1-2-4-16(14)18/h1-6,11-13H,7-10H2/t21-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidin]-2'-one |
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| RKR | Name: | 2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide | Formula: | C19 H18 Cl N3 O | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)N(C)C | InChi: | InChI=1S/C19H18ClN3O/c1-23(2)16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide |
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| RL0 | Name: | 2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide | Formula: | C19 H18 Cl N3 O3 S | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)N(C)S(C)(=O)=O | InChi: | InChI=1S/C19H18ClN3O3S/c1-23(27(2,25)26)16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide |
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| RL8 | Name: | 4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide | Formula: | C19 H16 Cl N3 O2 | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(=O)NC | InChi: | InChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-14-10-22-11-17(16(14)9-13)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide |
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| RLH | Name: | 2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide | Formula: | C23 H24 Cl N3 O2 | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(OCCN3CCCC3)ccc21 | InChi: | InChI=1S/C23H24ClN3O2/c24-19-5-3-4-17(12-19)13-23(28)26-22-16-25-15-18-14-20(6-7-21(18)22)29-11-10-27-8-1-2-9-27/h3-7,12,14-16H,1-2,8-11,13H2,(H,26,28) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide |
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| 3A0 | Name: | (2S,4S)-4-methylpiperidine-2-carboxylic acid | Formula: | C7 H13 N O2 | SMILES: | O=C(O)C1NCCC(C)C1 | InChi: | InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1 | Definition date: | 2014-07-14 | Last modified: | 2023-11-03 | Release date: | 2014-10-08 | Identifier: | (2S,4S)-4-methylpiperidine-2-carboxylic acid |
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| RLR | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C23 H21 Cl N4 O2 | SMILES: | O=C1NCCC1N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C23H21ClN4O2/c24-16-6-5-15-12-28(21-7-8-26-23(21)30)13-19(18(15)9-16)22(29)27-20-11-25-10-14-3-1-2-4-17(14)20/h1-6,9-11,19,21H,7-8,12-13H2,(H,26,30)(H,27,29)/t19-,21-/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-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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| 3A5 | Name: | (2Z,4S)-3-AZA-5-CARBOXYL-2-METHYL-4(METHYLCARBOXY)PENT-2-ENOYL | Formula: | C8 H11 N O6 | SMILES: | O=C(OC)C(/N=C(/C(=O)O)C)CC(=O)O | InChi: | InChI=1S/C8H11NO6/c1-4(7(12)13)9-5(3-6(10)11)8(14)15-2/h5H,3H2,1-2H3,(H,10,11)(H,12,13)/b9-4+/t5-/m0/s1 | Definition date: | 2012-03-28 | Last modified: | 2023-11-03 | Release date: | 2012-10-26 | Identifier: | (3S)-3-[(E)-(1-carboxyethylidene)amino]-4-methoxy-4-oxobutanoic acid (non-preferred name) |
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| RM3 | Name: | 2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide | Formula: | C19 H18 Cl N3 O | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)N(C)C | InChi: | InChI=1S/C19H18ClN3O/c1-23(2)16-6-7-17-14(10-16)11-21-12-18(17)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide |
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| RMI | Name: | 2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide | Formula: | C21 H22 Cl N3 O2 | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)OCCN(C)C | InChi: | InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-6-7-19-16(12-18)13-23-14-20(19)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide |
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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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| RN0 | Name: | 4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate | Formula: | C18 H15 Cl N2 O4 S | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OS(C)(=O)=O | InChi: | InChI=1S/C18H15ClN2O4S/c1-26(23,24)25-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate |
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| RNI | Name: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C25 H24 Cl N5 O5 S2 | SMILES: | CS(=O)(=O)Nc1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)S(=O)(=O)CC1(C#N)CC1 | InChi: | InChI=1S/C25H24ClN5O5S2/c1-37(33,34)30-19-4-5-20-17(8-19)10-28-11-23(20)29-24(32)22-13-31(12-16-2-3-18(26)9-21(16)22)38(35,36)15-25(14-27)6-7-25/h2-5,8-11,22,30H,6-7,12-13,15H2,1H3,(H,29,32)/t22-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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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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| 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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| ROZ | Name: | 4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide | Formula: | C18 H14 Cl N3 O2 | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(N)=O | InChi: | InChI=1S/C18H14ClN3O2/c19-14-3-1-2-11(6-14)7-17(23)22-16-10-21-9-13-5-4-12(18(20)24)8-15(13)16/h1-6,8-10H,7H2,(H2,20,24)(H,22,23) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide |
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| RPI | Name: | phospho-arginine | Formula: | C6 H15 N4 O5 P | SMILES: | N[CH](CCCNC(=N)N[P](O)(O)=O)C(O)=O | InChi: | InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1 | Definition date: | 2016-01-02 | Last modified: | 2023-11-03 | Release date: | 2016-10-12 | Identifier: | (2~{S})-2-azanyl-5-[(~{N}-phosphonocarbamimidoyl)amino]pentanoic acid |
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| RPK | Name: | N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide | Formula: | C19 H16 Cl N3 O2 | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)NC(C)=O | InChi: | InChI=1S/C19H16ClN3O2/c1-12(24)22-16-6-5-14-10-21-11-18(17(14)9-16)23-19(25)8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,24)(H,23,25) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide |
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| RPZ | Name: | 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide | Formula: | C24 H23 Cl N4 O2 | SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1 | InChi: | InChI=1S/C24H23ClN4O2/c1-26-22(30)14-28-13-17-6-7-18(25)10-20(17)24(15-28)8-9-29(23(24)31)21-12-27-11-16-4-2-3-5-19(16)21/h2-7,10-12H,8-9,13-15H2,1H3,(H,26,30)/t24-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide |
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| RQ6 | Name: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C22 H18 Cl F N4 O3 | SMILES: | Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21 | InChi: | InChI=1S/C22H18ClFN4O3/c1-25-20(29)11-28-10-18(17-7-13(23)2-4-16(17)22(28)31)21(30)27-19-9-26-8-12-6-14(24)3-5-15(12)19/h2-9,18H,10-11H2,1H3,(H,25,29)(H,27,30)/t18-/m1/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)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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| 3EG | Name: | (2S)-2-amino-4,4,4-trifluorobutanoic acid | Formula: | C4 H6 F3 N O2 | SMILES: | FC(F)(F)CC(N)C(=O)O | InChi: | InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1 | Definition date: | 2011-10-13 | Last modified: | 2023-11-03 | Identifier: | (2S)-2-amino-4,4,4-trifluorobutanoic acid |
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| RQF | Name: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C24 H22 Cl F N4 O3 | SMILES: | Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NCCC)C(=O)c2ccc(Cl)cc21 | InChi: | InChI=1S/C24H22ClFN4O3/c1-2-7-28-22(31)13-30-12-20(19-9-15(25)3-5-18(19)24(30)33)23(32)29-21-11-27-10-14-8-16(26)4-6-17(14)21/h3-6,8-11,20H,2,7,12-13H2,1H3,(H,28,31)(H,29,32)/t20-/m1/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)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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| RQO | Name: | 4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide | Formula: | C20 H18 Cl N3 O2 | SMILES: | CN(C)C(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 | InChi: | InChI=1S/C20H18ClN3O2/c1-24(2)20(26)14-6-7-15-11-22-12-18(17(15)10-14)23-19(25)9-13-4-3-5-16(21)8-13/h3-8,10-12H,9H2,1-2H3,(H,23,25) | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide |
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| RR0 | Name: | (2r,4r)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2,3-dihydro-4H-2,4-methano-1-benzopyran-4-carboxamide | Formula: | C20 H14 Cl F N2 O2 | SMILES: | Fc1ccc2c(c1)cncc2NC(=O)C12CC(C1)Oc1ccc(Cl)cc12 | InChi: | InChI=1S/C20H14ClFN2O2/c21-12-1-4-18-16(6-12)20(7-14(8-20)26-18)19(25)24-17-10-23-9-11-5-13(22)2-3-15(11)17/h1-6,9-10,14H,7-8H2,(H,24,25)/t14-,20- | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2r,4r)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2,3-dihydro-4H-2,4-methano-1-benzopyran-4-carboxamide |
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