 | | 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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 | | QUQ | | Name: | (4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C21 H18 Cl N3 O2 | | SMILES: | CC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C21H18ClN3O2/c1-13(26)25-11-15-6-7-16(22)8-18(15)19(12-25)21(27)24-20-10-23-9-14-4-2-3-5-17(14)20/h2-10,19H,11-12H2,1H3,(H,24,27)/t19-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-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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 | | KP0 | | Name: | N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea | | Formula: | C20 H24 Cl N3 O | | SMILES: | O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1 | | InChi: | InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea |
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 | | QG3 | | Name: | 2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H12 F2 N2 O | | SMILES: | Fc1cc(cc(F)c1)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H12F2N2O/c18-13-5-11(6-14(19)8-13)7-17(22)21-16-10-20-9-12-3-1-2-4-15(12)16/h1-6,8-10H,7H2,(H,21,22) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | QV0 | | Name: | (3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one | | Formula: | C22 H19 Cl N2 O2 | | SMILES: | Clc1ccc2OCCC3(CCCN(C3=O)c3cncc4ccccc43)c2c1 | | InChi: | InChI=1S/C22H19ClN2O2/c23-16-6-7-20-18(12-16)22(9-11-27-20)8-3-10-25(21(22)26)19-14-24-13-15-4-1-2-5-17(15)19/h1-2,4-7,12-14H,3,8-11H2/t22-/m1/s1 | | Definition date: | 2023-08-21 | | 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'-piperidin]-2'-one |
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 | | OUF | | Name: | N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea | | Formula: | C22 H27 N3 O4 | | SMILES: | O=C1c2ccccc2C(=CN1C)NC(=O)N(CCCOC(C)C)Cc1ccco1 | | InChi: | InChI=1S/C22H27N3O4/c1-16(2)28-13-7-11-25(14-17-8-6-12-29-17)22(27)23-20-15-24(3)21(26)19-10-5-4-9-18(19)20/h4-6,8-10,12,15-16H,7,11,13-14H2,1-3H3,(H,23,27) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea |
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 | | KPF | | Name: | N-(1-carboxy-2-fluoro-ethenyl) lysine | | Formula: | C9 H15 F N2 O4 | | SMILES: | N[CH](CCCCN=C(CF)C(O)=O)C(O)=O | | InChi: | InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1 | | Definition date: | 2015-07-15 | | Last modified: | 2023-11-03 | | Release date: | 2015-11-18 | | Identifier: | (2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid |
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 | | QGC | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C22 H19 Cl N6 O | | SMILES: | Clc1ccc2c(c1)C(CCN2Cc1nnc[NH]1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H19ClN6O/c23-15-5-6-20-18(9-15)17(7-8-29(20)12-21-25-13-26-28-21)22(30)27-19-11-24-10-14-3-1-2-4-16(14)19/h1-6,9-11,13,17H,7-8,12H2,(H,27,30)(H,25,26,28)/t17-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | N5L | | Name: | N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide | | Formula: | C14 H14 Cl N3 O | | SMILES: | O=C(Nc1cncc(N)c1C)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C14H14ClN3O/c1-9-12(16)7-17-8-13(9)18-14(19)6-10-3-2-4-11(15)5-10/h2-5,7-8H,6,16H2,1H3,(H,18,19) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide |
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 | | QV9 | | Name: | (3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one | | Formula: | C19 H15 Cl N2 O | | SMILES: | Clc1cccc(c1)C1CCN(c2cncc3ccccc23)C1=O | | InChi: | InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one |
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 | | KPN | | Name: | N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine | | Formula: | C16 H18 N4 O3 | | SMILES: | O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN | | InChi: | InChI=1S/C16H18N4O3/c17-6-8-20(11-16(22)23)15(21)9-12-4-5-14(19-10-12)13-3-1-2-7-18-13/h1-5,7,10H,6,8-9,11,17H2,(H,22,23) | | Definition date: | 2010-04-20 | | Last modified: | 2023-11-03 | | Identifier: | N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine |
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 | | QVE | | Name: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid | | Formula: | C12 H10 N2 O5 | | SMILES: | Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O | | InChi: | InChI=1S/C12H10N2O5/c13-7-3-1-2-6-9(19-5-10(15)16)4-8(12(17)18)14-11(6)7/h1-4H,5,13H2,(H,15,16)(H,17,18) | | Definition date: | 2016-05-24 | | Last modified: | 2023-11-03 | | Release date: | 2017-03-01 | | Identifier: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid |
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 | | OUR | | Name: | [azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium | | Formula: | C7 H18 N5 O2 | | SMILES: | N[CH](CCCNC(N)=[NH2+])CNC(O)=O | | InChi: | InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1 | | Definition date: | 2017-02-10 | | Last modified: | 2023-11-03 | | Release date: | 2017-04-12 | | Identifier: | [azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium |
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 | | QVG | | Name: | (4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C19 H13 Cl F2 N2 O2 | | SMILES: | Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2cc(F)c(Cl)cc21 | | InChi: | InChI=1S/C19H13ClF2N2O2/c20-15-6-14-12(3-4-26-18(14)7-16(15)22)19(25)24-17-9-23-8-10-1-2-11(21)5-13(10)17/h1-2,5-9,12H,3-4H2,(H,24,25)/t12-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | QVJ | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C23 H22 Cl N3 O4 | | SMILES: | CNC(=O)COCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H22ClN3O4/c1-25-21(28)13-30-14-23(8-9-31-20-7-6-16(24)10-18(20)23)22(29)27-19-12-26-11-15-4-2-3-5-17(15)19/h2-7,10-12H,8-9,13-14H2,1H3,(H,25,28)(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-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-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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 | | QGO | | Name: | (4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C23 H22 Cl N3 O3 | | SMILES: | CN(C)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H22ClN3O3/c1-27(2)21(28)12-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)26-19-14-25-13-15-5-3-4-6-17(15)19/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,26,29)/t23-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | 0MG | | Name: | amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium | | Formula: | C7 H15 N4 O3 | | SMILES: | O=C(C(=O)O)C(N)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1 | | Definition date: | 2010-09-24 | | Last modified: | 2023-11-03 | | Identifier: | amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium |
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 | | KPY | | Name: | (2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID | | Formula: | C8 H14 N2 O4 S | | SMILES: | O=C(O)C(N)CSCC/N=C(/C(=O)O)C | | InChi: | InChI=1S/C8H14N2O4S/c1-5(7(11)12)10-2-3-15-4-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,11,12)(H,13,14)/b10-5+/t6-/m0/s1 | | Synonyms: | PYRUVOYL-L-THIALYSINE | | Definition date: | 2012-02-03 | | Last modified: | 2023-11-03 | | Release date: | 2013-01-18 | | Identifier: | S-{2-[(E)-(1-carboxyethylidene)amino]ethyl}-L-cysteine |
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 | | OV4 | | Name: | 2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide | | Formula: | C23 H23 N5 O | | SMILES: | CN(C)c1ccc(cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 | | InChi: | InChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide |
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 | | KQ3 | | Name: | N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea | | Formula: | C18 H21 Cl N4 O2 | | SMILES: | Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1 | | InChi: | InChI=1S/C18H21ClN4O2/c19-15-3-1-5-17(13-15)23(8-7-22-9-11-25-12-10-22)18(24)21-16-4-2-6-20-14-16/h1-6,13-14H,7-12H2,(H,21,24) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea |
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 | | QGX | | Name: | (2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H13 Cl2 N3 O | | SMILES: | Clc1ccc(cc1Cl)C(N)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H13Cl2N3O/c18-13-6-5-10(7-14(13)19)16(20)17(23)22-15-9-21-8-11-3-1-2-4-12(11)15/h1-9,16H,20H2,(H,22,23)/t16-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | N65 | | Name: | (2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanal | | Formula: | C11 H22 N2 O2 | | SMILES: | CCCC(C)=NCCCC[CH](N)C(O)=O | | InChi: | InChI=1S/C11H22N2O2/c1-3-6-9(2)13-8-5-4-7-10(12)11(14)15/h10H,3-8,12H2,1-2H3,(H,14,15)/b13-9+/t10-/m0/s1 | | Definition date: | 2019-11-13 | | Last modified: | 2023-11-03 | | Release date: | 2020-06-03 | | Identifier: | (2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanoic acid |
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 | | QVU | | Name: | (4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C18 H14 Cl2 N4 O | | SMILES: | Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cncc2cnccc21 | | InChi: | InChI=1S/C18H14Cl2N4O/c19-14-5-13-12(2-4-23-16(13)6-15(14)20)18(25)24-17-9-22-8-10-7-21-3-1-11(10)17/h1,3,5-9,12,23H,2,4H2,(H,24,25)/t12-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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