 | | KX9 | | Name: | (2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide | | Formula: | C17 H15 Cl N4 O | | SMILES: | Clc1cccc(c1)C(C)C(=O)Nc1cnccc1n1cccn1 | | InChi: | InChI=1S/C17H15ClN4O/c1-12(13-4-2-5-14(18)10-13)17(23)21-15-11-19-8-6-16(15)22-9-3-7-20-22/h2-12H,1H3,(H,21,23)/t12-/m1/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide |
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 | | REU | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H23 Cl N4 O2 | | SMILES: | CNC(=O)C(C)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H23ClN4O2/c1-14(22(29)25-2)28-12-16-7-8-17(24)9-19(16)20(13-28)23(30)27-21-11-26-10-15-5-3-4-6-18(15)21/h3-11,14,20H,12-13H2,1-2H3,(H,25,29)(H,27,30)/t14-,20+/m0/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-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | LB0 | | Name: | (1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide | | Formula: | C14 H18 N2 O | | SMILES: | O=C(Nc1cnccc1C)C1CC(C1)C1CC1 | | InChi: | InChI=1S/C14H18N2O/c1-9-4-5-15-8-13(9)16-14(17)12-6-11(7-12)10-2-3-10/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,16,17)/t11-,12- | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide |
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 | | KXF | | Name: | 2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C14 H14 N2 O2 | | SMILES: | O=C(Nc1cnccc1C)Cc1cccc(O)c1 | | InChi: | InChI=1S/C14H14N2O2/c1-10-5-6-15-9-13(10)16-14(18)8-11-3-2-4-12(17)7-11/h2-7,9,17H,8H2,1H3,(H,16,18) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | QMX | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C25 H24 Cl N5 O2 | | SMILES: | Cn1ccc(n1)CNCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C25H24ClN5O2/c1-31-10-8-19(30-31)14-28-16-25(9-11-33-23-7-6-18(26)12-21(23)25)24(32)29-22-15-27-13-17-4-2-3-5-20(17)22/h2-8,10,12-13,15,28H,9,11,14,16H2,1H3,(H,29,32)/t25-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | NQ3 | | Name: | (1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one | | Formula: | C15 H12 Cl N3 O | | SMILES: | Clc1cccc(c1)N1C=CN(c2cnccc2C)C1=O | | InChi: | InChI=1S/C15H12ClN3O/c1-11-5-6-17-10-14(11)19-8-7-18(15(19)20)13-4-2-3-12(16)9-13/h2-10H,1H3 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one |
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 | | LBC | | Name: | 2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C14 H13 I N2 O | | SMILES: | O=C(Nc1cnccc1C)Cc1cccc(I)c1 | | InChi: | InChI=1S/C14H13IN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | KXR | | Name: | N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide | | Formula: | C15 H13 F N4 O3 | | SMILES: | Fc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1 | | InChi: | InChI=1S/C15H13FN4O3/c16-10-2-11(4-12(3-10)23-15-5-14(22)20-15)19-13(21)1-9-6-17-8-18-7-9/h2-4,6-8,15H,1,5H2,(H,19,21)(H,20,22)/t15-/m0/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide |
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 | | QN9 | | Name: | (4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C28 H31 Cl N4 O4 | | SMILES: | OCCCN1CCN(CC1)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C28H31ClN4O4/c29-21-6-7-25-23(16-21)28(8-15-37-25,17-26(35)33-12-10-32(11-13-33)9-3-14-34)27(36)31-24-19-30-18-20-4-1-2-5-22(20)24/h1-2,4-7,16,18-19,34H,3,8-15,17H2,(H,31,36)/t28-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | RFF | | Name: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H21 Cl N6 O3 S | | SMILES: | Cn1ncc2cncc(NC(=O)C3CN(Cc4ccc(Cl)cc43)S(=O)(=O)CC3(C#N)CC3)c12 | | InChi: | InChI=1S/C22H21ClN6O3S/c1-28-20-15(8-26-28)7-25-9-19(20)27-21(30)18-11-29(10-14-2-3-16(23)6-17(14)18)33(31,32)13-22(12-24)4-5-22/h2-3,6-9,18H,4-5,10-11,13H2,1H3,(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-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | LBO | | Name: | 2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C17 H18 N2 O | | SMILES: | O=C(Nc1cnccc1C)Cc1cccc(c1)C1CC1 | | InChi: | InChI=1S/C17H18N2O/c1-12-7-8-18-11-16(12)19-17(20)10-13-3-2-4-15(9-13)14-5-6-14/h2-4,7-9,11,14H,5-6,10H2,1H3,(H,19,20) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | KY0 | | Name: | 1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide | | Formula: | C16 H15 Cl N2 O | | SMILES: | O=C(Nc1cnccc1C)C1(CC1)c1cccc(Cl)c1 | | InChi: | InChI=1S/C16H15ClN2O/c1-11-5-8-18-10-14(11)19-15(20)16(6-7-16)12-3-2-4-13(17)9-12/h2-5,8-10H,6-7H2,1H3,(H,19,20) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide |
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 | | Q8I | | Name: | 1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine | | Formula: | C10 H11 F N2 | | SMILES: | Fc1cc2c(cc1)[NH]cc2CNC | | InChi: | InChI=1S/C10H11FN2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,6,12-13H,5H2,1H3 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine |
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 | | NQO | | Name: | 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide | | Formula: | C13 H12 Cl N3 O | | SMILES: | Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C13H12ClN3O/c1-9-5-6-15-17-13(9)16-12(18)8-10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,16,17,18) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide |
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 | | MJR | | Name: | 2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide | | Formula: | C12 H12 Cl N3 O | | SMILES: | O=C(Nc1c[NH]nc1C)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C12H12ClN3O/c1-8-11(7-14-16-8)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide |
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 | | RFR | | Name: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H24 Cl N5 O4 S | | SMILES: | CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC | | InChi: | InChI=1S/C23H24ClN5O4S/c1-25-22(30)13-29-11-15-3-5-16(24)7-18(15)20(12-29)23(31)27-21-10-26-9-14-4-6-17(8-19(14)21)28-34(2,32)33/h3-10,20,28H,11-13H2,1-2H3,(H,25,30)(H,27,31)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | Q8O | | Name: | 2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C15 H14 N4 O | | SMILES: | Cc1ccncc1NC(=O)Cc1ccc2nc[NH]c2c1 | | InChi: | InChI=1S/C15H14N4O/c1-10-4-5-16-8-14(10)19-15(20)7-11-2-3-12-13(6-11)18-9-17-12/h2-6,8-9H,7H2,1H3,(H,17,18)(H,19,20) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | KYC | | Name: | (2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C16 H18 Cl N3 O | | SMILES: | O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)N(C)C | | InChi: | InChI=1S/C16H18ClN3O/c1-11-7-8-18-10-14(11)19-16(21)15(20(2)3)12-5-4-6-13(17)9-12/h4-10,15H,1-3H3,(H,19,21)/t15-/m0/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide |
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 | | QNU | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C19 H16 Cl N3 O | | SMILES: | Clc1ccc2CNCC(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H16ClN3O/c20-14-6-5-13-9-21-10-17(16(13)7-14)19(24)23-18-11-22-8-12-3-1-2-4-15(12)18/h1-8,11,17,21H,9-10H2,(H,23,24)/t17-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | KJI | | Name: | N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide | | Formula: | C17 H16 N4 O | | SMILES: | O=C(Nc1cnccc1C)CNc1ccnc2ccccc21 | | InChi: | InChI=1S/C17H16N4O/c1-12-6-8-18-10-16(12)21-17(22)11-20-15-7-9-19-14-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,19,20)(H,21,22) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide |
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 | | RG3 | | Name: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H21 Cl N4 O5 S | | SMILES: | CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21 | | InChi: | InChI=1S/C23H21ClN4O5S/c1-25-21(29)12-28-11-19(18-8-14(24)3-5-17(18)23(28)31)22(30)27-20-10-26-9-13-7-15(34(2,32)33)4-6-16(13)20/h3-10,19H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t19-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | THR | | Name: | THREONINE | | Formula: | C4 H9 N O3 | | SMILES: | O=C(O)C(N)C(O)C | | InChi: | InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | L-threonine |
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 | | QO0 | | Name: | (4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C20 H16 Cl2 N2 O3 | | SMILES: | Clc1cc2c(cc1Cl)OCCC2(OC)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H16Cl2N2O3/c1-26-20(6-7-27-18-9-16(22)15(21)8-14(18)20)19(25)24-17-11-23-10-12-4-2-3-5-13(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | RG9 | | Name: | 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide | | Formula: | C20 H19 Cl N2 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(C)(C)O | | InChi: | InChI=1S/C20H19ClN2O2/c1-20(2,25)15-6-7-17-14(10-15)11-22-12-18(17)23-19(24)9-13-4-3-5-16(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide |
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 | | KJO | | Name: | N-phenyl-2-(pyridin-3-yl)prop-2-enamide | | Formula: | C14 H12 N2 O | | SMILES: | O=C(Nc1ccccc1)C(=C)c1cccnc1 | | InChi: | InChI=1S/C14H12N2O/c1-11(12-6-5-9-15-10-12)14(17)16-13-7-3-2-4-8-13/h2-10H,1H2,(H,16,17) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-phenyl-2-(pyridin-3-yl)prop-2-enamide |
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