![I9W I9W](https://data.pdbj.org/pdbjplus/data/cc/svg/I9W.svg) | I9W | Name: | 2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide | Formula: | C21 H24 N6 O3 | SMILES: | Cn1cc(cn1)c1nccc(Oc2ccc(NC(=O)NC(=O)C(C)(C)C)nc2C)c1 | InChi: | InChI=1S/C21H24N6O3/c1-13-17(6-7-18(24-13)25-20(29)26-19(28)21(2,3)4)30-15-8-9-22-16(10-15)14-11-23-27(5)12-14/h6-12H,1-5H3,(H2,24,25,26,28,29) | Definition date: | 2022-01-24 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide |
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![OV0 OV0](https://data.pdbj.org/pdbjplus/data/cc/svg/OV0.svg) | OV0 | Name: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one | Formula: | C24 H18 F2 N4 O2 | SMILES: | O=C(c1ccc(Nc2cc(nc3C=NC(=O)c32)c2c(F)cccc2F)cc1)N1CCCC1 | InChi: | InChI=1S/C24H18F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12-13H,1-2,10-11H2,(H,28,29) | Definition date: | 2022-05-16 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one |
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![OV5 OV5](https://data.pdbj.org/pdbjplus/data/cc/svg/OV5.svg) | OV5 | Name: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide | Formula: | C21 H15 Cl F N5 O2 | SMILES: | CCNC(=O)c1ccc(nc1)Nc1cc(nc2C=NC(=O)c12)c1c(F)cccc1Cl | InChi: | InChI=1S/C21H15ClFN5O2/c1-2-24-20(29)11-6-7-17(25-9-11)28-15-8-14(18-12(22)4-3-5-13(18)23)27-16-10-26-21(30)19(15)16/h3-10H,2H2,1H3,(H,24,29)(H,25,27,28) | Definition date: | 2022-05-16 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide |
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![OVC OVC](https://data.pdbj.org/pdbjplus/data/cc/svg/OVC.svg) | OVC | Name: | 2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one | Formula: | C19 H12 F2 N4 O2 | SMILES: | Fc1cccc(F)c1c1nc2C=NC(=O)c2c(n1)Nc1ccc(OC)cc1 | InChi: | InChI=1S/C19H12F2N4O2/c1-27-11-7-5-10(6-8-11)23-18-16-14(9-22-19(16)26)24-17(25-18)15-12(20)3-2-4-13(15)21/h2-9H,1H3,(H,23,24,25) | Definition date: | 2022-05-16 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one |
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![OVI OVI](https://data.pdbj.org/pdbjplus/data/cc/svg/OVI.svg) | OVI | Name: | 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide | Formula: | C22 H17 F2 N5 O2 | SMILES: | CCNC(=O)Cc1ccc(cc1)Nc1nc(nc2C=NC(=O)c21)c1c(F)cccc1F | InChi: | InChI=1S/C22H17F2N5O2/c1-2-25-17(30)10-12-6-8-13(9-7-12)27-21-19-16(11-26-22(19)31)28-20(29-21)18-14(23)4-3-5-15(18)24/h3-9,11H,2,10H2,1H3,(H,25,30)(H,27,28,29) | Definition date: | 2022-05-16 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide |
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![7WZ 7WZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7WZ.svg) | 7WZ | Name: | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one | Formula: | C12 H13 Cl N4 O | SMILES: | CN1N=CC(Nc2ccc(CN)cc2)=C(Cl)C1=O | InChi: | InChI=1S/C12H13ClN4O/c1-17-12(18)11(13)10(7-15-17)16-9-4-2-8(6-14)3-5-9/h2-5,7,16H,6,14H2,1H3 | Definition date: | 2021-08-23 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one |
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![7XE 7XE](https://data.pdbj.org/pdbjplus/data/cc/svg/7XE.svg) | 7XE | Name: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one | Formula: | C14 H15 Cl N4 O | SMILES: | CN1N=CC(Nc2cc3CCNCc3cc2)=C(Cl)C1=O | InChi: | InChI=1S/C14H15ClN4O/c1-19-14(20)13(15)12(8-17-19)18-11-3-2-10-7-16-5-4-9(10)6-11/h2-3,6,8,16,18H,4-5,7H2,1H3 | Definition date: | 2021-08-23 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one |
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![80I 80I](https://data.pdbj.org/pdbjplus/data/cc/svg/80I.svg) | 80I | Name: | [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Formula: | C24 H33 N4 O9 P | SMILES: | COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C(=O)CO[P](O)(O)=O | InChi: | InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1 | Definition date: | 2021-11-09 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butyl] dihydrogen phosphate |
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![6IV 6IV](https://data.pdbj.org/pdbjplus/data/cc/svg/6IV.svg) | 6IV | Name: | 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside | Formula: | C17 H20 N4 O9 S | SMILES: | OC1C(O)C(O)C(CO)OC1OCCc1cn(nn1)c1ccc2c(c1)S(=O)(=O)NC2=O | InChi: | InChI=1S/C17H20N4O9S/c22-7-11-13(23)14(24)15(25)17(30-11)29-4-3-8-6-21(20-18-8)9-1-2-10-12(5-9)31(27,28)19-16(10)26/h1-2,5-6,11,13-15,17,22-25H,3-4,7H2,(H,19,26)/t11-,13+,14-,15-,17-/m0/s1 | Definition date: | 2021-08-10 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside |
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![6IZ 6IZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6IZ.svg) | 6IZ | Name: | 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide | Formula: | C23 H18 F N3 O2 | SMILES: | O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1nc2ccccc2[NH]1 | InChi: | InChI=1S/C23H18FN3O2/c24-17-9-11-18(12-10-17)25-22(28)23(13-29-14-23)16-7-5-15(6-8-16)21-26-19-3-1-2-4-20(19)27-21/h1-12H,13-14H2,(H,25,28)(H,26,27) | Definition date: | 2021-08-10 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide |
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![5YH 5YH](https://data.pdbj.org/pdbjplus/data/cc/svg/5YH.svg) | 5YH | Name: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one | Formula: | C18 H17 F2 N3 O2 | SMILES: | O[CH](CN1CCNC1=O)Cn2c3ccc(F)cc3c4cc(F)ccc24 | InChi: | InChI=1S/C18H17F2N3O2/c19-11-1-3-16-14(7-11)15-8-12(20)2-4-17(15)23(16)10-13(24)9-22-6-5-21-18(22)25/h1-4,7-8,13,24H,5-6,9-10H2,(H,21,25)/t13-/m0/s1 | Definition date: | 2021-08-25 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 1-[(2~{R})-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one |
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![7IL 7IL](https://data.pdbj.org/pdbjplus/data/cc/svg/7IL.svg) | 7IL | Name: | N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide | Formula: | C25 H31 N5 O2 | SMILES: | CC(C)(C)NC(=O)[CH](N(c1ccc(cc1)C(C)(C)C)C(=O)c2[nH]cnc2)c3cccnc3 | InChi: | InChI=1S/C25H31N5O2/c1-24(2,3)18-9-11-19(12-10-18)30(23(32)20-15-27-16-28-20)21(17-8-7-13-26-14-17)22(31)29-25(4,5)6/h7-16,21H,1-6H3,(H,27,28)(H,29,31)/t21-/m1/s1 | Synonyms: | N-[(1R)-2-(Tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide | Definition date: | 2021-08-11 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | ~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-1~{H}-imidazole-5-carboxamide |
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![7QZ 7QZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7QZ.svg) | 7QZ | Name: | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | Formula: | C35 H29 F4 N7 O4 S | SMILES: | Fc1ccccc1NC(=O)NC1=CC(=CN(C)C1=O)c1cc2c(ccn2C(C)(c2ccccn2)c2ccccn2)c(c1)NS(=O)(=O)CC(F)(F)F | InChi: | InChI=1S/C35H29F4N7O4S/c1-34(30-11-5-7-14-40-30,31-12-6-8-15-41-31)46-16-13-24-27(44-51(49,50)21-35(37,38)39)17-22(19-29(24)46)23-18-28(32(47)45(2)20-23)43-33(48)42-26-10-4-3-9-25(26)36/h3-20,44H,21H2,1-2H3,(H2,42,43,48) | Definition date: | 2021-08-18 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide |
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![7R5 7R5](https://data.pdbj.org/pdbjplus/data/cc/svg/7R5.svg) | 7R5 | Name: | N-(3-chloropyridin-4-yl)-2-[2-(morpholin-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Formula: | C17 H17 Cl N6 O3 | SMILES: | Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc12)N1CCOCC1 | InChi: | InChI=1S/C17H17ClN6O3/c18-12-9-19-3-1-13(12)20-14(25)10-24-4-2-11-15(24)21-17(22-16(11)26)23-5-7-27-8-6-23/h1-4,9H,5-8,10H2,(H,19,20,25)(H,21,22,26) | Definition date: | 2021-08-19 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | N-(3-chloropyridin-4-yl)-2-[2-(morpholin-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
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![7RB 7RB](https://data.pdbj.org/pdbjplus/data/cc/svg/7RB.svg) | 7RB | Name: | 2-[2-(4-benzylpiperidin-1-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide | Formula: | C25 H25 Cl N6 O2 | SMILES: | Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc12)N1CCC(CC1)Cc1ccccc1 | InChi: | InChI=1S/C25H25ClN6O2/c26-20-15-27-10-6-21(20)28-22(33)16-32-13-9-19-23(32)29-25(30-24(19)34)31-11-7-18(8-12-31)14-17-4-2-1-3-5-17/h1-6,9-10,13,15,18H,7-8,11-12,14,16H2,(H,27,28,33)(H,29,30,34) | Definition date: | 2021-08-19 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 2-[2-(4-benzylpiperidin-1-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide |
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![7SC 7SC](https://data.pdbj.org/pdbjplus/data/cc/svg/7SC.svg) | 7SC | Name: | N-(3-chloropyridin-4-yl)-2-{4-oxo-2-[(2-phenylethyl)amino]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Formula: | C21 H19 Cl N6 O2 | SMILES: | Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCCc1ccccc1 | InChi: | InChI=1S/C21H19ClN6O2/c22-16-12-23-9-7-17(16)25-18(29)13-28-11-8-15-19(28)26-21(27-20(15)30)24-10-6-14-4-2-1-3-5-14/h1-5,7-9,11-12H,6,10,13H2,(H,23,25,29)(H2,24,26,27,30) | Definition date: | 2021-08-19 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | N-(3-chloropyridin-4-yl)-2-{4-oxo-2-[(2-phenylethyl)amino]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
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![7SH 7SH](https://data.pdbj.org/pdbjplus/data/cc/svg/7SH.svg) | 7SH | Name: | N-(3-chloropyridin-4-yl)-2-{5-(3-cyano-4-hydroxyphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Formula: | C27 H19 Cl N8 O3 | SMILES: | Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(c4ccc(O)c(C#N)c4)c3C2=O)cn1 | InChi: | InChI=1S/C27H19ClN8O3/c1-34-13-17(11-32-34)3-2-8-35-16-31-26-25(27(35)39)20(18-4-5-23(37)19(9-18)10-29)14-36(26)15-24(38)33-22-6-7-30-12-21(22)28/h4-7,9,11-14,16,37H,8,15H2,1H3,(H,30,33,38) | Definition date: | 2021-08-19 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | N-(3-chloropyridin-4-yl)-2-{5-(3-cyano-4-hydroxyphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
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![7SO 7SO](https://data.pdbj.org/pdbjplus/data/cc/svg/7SO.svg) | 7SO | Name: | N-(3-chloropyridin-4-yl)-2-{5-(3-cyanophenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Formula: | C27 H19 Cl N8 O2 | SMILES: | Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(c4cccc(C#N)c4)c3C2=O)cn1 | InChi: | InChI=1S/C27H19ClN8O2/c1-34-14-19(12-32-34)5-3-9-35-17-31-26-25(27(35)38)21(20-6-2-4-18(10-20)11-29)15-36(26)16-24(37)33-23-7-8-30-13-22(23)28/h2,4,6-8,10,12-15,17H,9,16H2,1H3,(H,30,33,37) | Definition date: | 2021-08-19 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | N-(3-chloropyridin-4-yl)-2-{5-(3-cyanophenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
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![7ST 7ST](https://data.pdbj.org/pdbjplus/data/cc/svg/7ST.svg) | 7ST | Name: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Formula: | C32 H28 Cl N9 O4 | SMILES: | N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=CN(CC#Cc3cn(C)nc3)C(=O)c12 | InChi: | InChI=1S/C32H28ClN9O4/c1-20-10-22(11-23(13-34)30(20)44)24-17-42(18-28(43)38-26-12-27(35-15-25(26)33)40-6-8-46-9-7-40)31-29(24)32(45)41(19-36-31)5-3-4-21-14-37-39(2)16-21/h10-12,14-17,19,44H,5-9,18H2,1-2H3,(H,35,38,43) | Definition date: | 2021-08-19 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
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![7SZ 7SZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7SZ.svg) | 7SZ | Name: | N-[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Formula: | C33 H31 Cl N10 O3 | SMILES: | Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4cc(ncc4Cl)N4CCN(C)CC4)cc(c4cc(C#N)c(O)c(C)c4)c3C2=O)cn1 | InChi: | InChI=1S/C33H31ClN10O3/c1-21-11-23(12-24(14-35)31(21)46)25-18-44(32-30(25)33(47)43(20-37-32)6-4-5-22-15-38-41(3)17-22)19-29(45)39-27-13-28(36-16-26(27)34)42-9-7-40(2)8-10-42/h11-13,15-18,20,46H,6-10,19H2,1-3H3,(H,36,39,45) | Definition date: | 2021-08-19 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | N-[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
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![7TH 7TH](https://data.pdbj.org/pdbjplus/data/cc/svg/7TH.svg) | 7TH | Name: | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid | Formula: | C16 H16 N2 O4 | SMILES: | [O-][N+](=O)c1ccc(NCCCc2ccccc2)c(c1)C(=O)O | InChi: | InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20) | Definition date: | 2021-08-20 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid |
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![7TW 7TW](https://data.pdbj.org/pdbjplus/data/cc/svg/7TW.svg) | 7TW | Name: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid | Formula: | C17 H15 N3 O4 | SMILES: | [O-][N+](=O)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O | InChi: | InChI=1S/C17H15N3O4/c21-17(22)14-9-12(20(23)24)5-6-16(14)18-8-7-11-10-19-15-4-2-1-3-13(11)15/h1-6,9-10,18-19H,7-8H2,(H,21,22) | Definition date: | 2021-08-20 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid |
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![HA4 HA4](https://data.pdbj.org/pdbjplus/data/cc/svg/HA4.svg) | HA4 | Name: | 2-cyclohexadecylethanoic acid | Formula: | C18 H34 O2 | SMILES: | OC(=O)CC1CCCCCCCCCCCCCCC1 | InChi: | InChI=1S/C18H34O2/c19-18(20)16-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h17H,1-16H2,(H,19,20) | Synonyms: | 2-cyclohexadecylacetic acid | Definition date: | 2021-08-27 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 2-cyclohexadecylethanoic acid |
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![7WE 7WE](https://data.pdbj.org/pdbjplus/data/cc/svg/7WE.svg) | 7WE | Name: | 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one | Formula: | C14 H17 Cl N4 O | SMILES: | CN1N=CC(Nc2ccc(CN(C)C)cc2)=C(Cl)C1=O | InChi: | InChI=1S/C14H17ClN4O/c1-18(2)9-10-4-6-11(7-5-10)17-12-8-16-19(3)14(20)13(12)15/h4-8,17H,9H2,1-3H3 | Definition date: | 2021-08-23 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one |
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![7WN 7WN](https://data.pdbj.org/pdbjplus/data/cc/svg/7WN.svg) | 7WN | Name: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one | Formula: | C14 H15 Cl N4 O | SMILES: | CN1N=CC(Nc2cc3CNCCc3cc2)=C(Cl)C1=O | InChi: | InChI=1S/C14H15ClN4O/c1-19-14(20)13(15)12(8-17-19)18-11-3-2-9-4-5-16-7-10(9)6-11/h2-3,6,8,16,18H,4-5,7H2,1H3 | Definition date: | 2021-08-23 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one |
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