![Y36 Y36](https://data.pdbj.org/pdbjplus/data/cc/svg/Y36.svg) | Y36 | Name: | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide | Formula: | C29 H30 N6 O3 S | SMILES: | c2(cc(C1=CN(C(C(=C1)NC)=O)C)cc3c2ccn3C(c4ncccc4)(c5ncccc5)C)NS(CC)(=O)=O | InChi: | InChI=1S/C29H30N6O3S/c1-5-39(37,38)33-23-16-20(21-17-24(30-3)28(36)34(4)19-21)18-25-22(23)12-15-35(25)29(2,26-10-6-8-13-31-26)27-11-7-9-14-32-27/h6-19,30,33H,5H2,1-4H3 | Definition date: | 2020-07-30 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide |
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![GD0 GD0](https://data.pdbj.org/pdbjplus/data/cc/svg/GD0.svg) | GD0 | Name: | 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol | Formula: | C16 H21 I N2 O2 | SMILES: | CCOCc1nc(I)c(n1CC(C)(C)O)c2ccccc2 | InChi: | InChI=1S/C16H21IN2O2/c1-4-21-10-13-18-15(17)14(12-8-6-5-7-9-12)19(13)11-16(2,3)20/h5-9,20H,4,10-11H2,1-3H3 | Definition date: | 2020-08-19 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol |
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![LB6 LB6](https://data.pdbj.org/pdbjplus/data/cc/svg/LB6.svg) | LB6 | Name: | N-[(6-bromo-1H-indol-1-yl)acetyl]glycine | Formula: | C12 H11 Br N2 O3 | SMILES: | O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21 | InChi: | InChI=1S/C12H11BrN2O3/c13-9-2-1-8-3-4-15(10(8)5-9)7-11(16)14-6-12(17)18/h1-5H,6-7H2,(H,14,16)(H,17,18) | Definition date: | 2021-04-05 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | N-[(6-bromo-1H-indol-1-yl)acetyl]glycine |
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![J2U J2U](https://data.pdbj.org/pdbjplus/data/cc/svg/J2U.svg) | J2U | Name: | (2~{S})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one | Formula: | C29 H24 O3 | SMILES: | Oc1ccc(C[CH]2Cc3c(Cc4ccccc4)cc(cc3C2=O)c5ccc(O)cc5)cc1 | InChi: | InChI=1S/C29H24O3/c30-25-10-6-20(7-11-25)15-24-18-27-23(14-19-4-2-1-3-5-19)16-22(17-28(27)29(24)32)21-8-12-26(31)13-9-21/h1-13,16-17,24,30-31H,14-15,18H2/t24-/m0/s1 | Definition date: | 2021-03-25 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (2~{S})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one |
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![J2X J2X](https://data.pdbj.org/pdbjplus/data/cc/svg/J2X.svg) | J2X | Name: | (2~{S})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{H}-inden-1-one | Formula: | C30 H26 O4 | SMILES: | OC[C]1(Cc2ccc(O)cc2)Cc3c(Cc4ccccc4)cc(cc3C1=O)c5ccc(O)cc5 | InChi: | InChI=1S/C30H26O4/c31-19-30(17-21-6-10-25(32)11-7-21)18-28-24(14-20-4-2-1-3-5-20)15-23(16-27(28)29(30)34)22-8-12-26(33)13-9-22/h1-13,15-16,31-33H,14,17-19H2/t30-/m0/s1 | Definition date: | 2021-03-25 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (2~{S})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{H}-inden-1-one |
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![J9R J9R](https://data.pdbj.org/pdbjplus/data/cc/svg/J9R.svg) | J9R | Name: | 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide | Formula: | C20 H20 F3 N5 O2 | SMILES: | Cn1cc(cn1)c2cc(nc3cc(CN4CCO[CH](C4)C(F)(F)F)ccc23)C(N)=O | InChi: | InChI=1S/C20H20F3N5O2/c1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)/t18-/m0/s1 | Definition date: | 2021-04-30 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide |
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![J9U J9U](https://data.pdbj.org/pdbjplus/data/cc/svg/J9U.svg) | J9U | Name: | (8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide | Formula: | C21 H21 F2 N5 O | SMILES: | C[CH]1N(CCc2c1nc(cc2c3ccc(F)cc3F)C(N)=O)Cc4ccnn4C | InChi: | InChI=1S/C21H21F2N5O/c1-12-20-16(6-8-28(12)11-14-5-7-25-27(14)2)17(10-19(26-20)21(24)29)15-4-3-13(22)9-18(15)23/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H2,24,29)/t12-/m1/s1 | Definition date: | 2021-04-30 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide |
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![AEU AEU](https://data.pdbj.org/pdbjplus/data/cc/svg/AEU.svg) | AEU | Name: | N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine | Formula: | C24 H19 N3 O | SMILES: | c1c5c(cc(n1)NCc2cccc(c2)Oc3ccccc3)c4ccccc4n5 | InChi: | InChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-19-10-6-7-17(13-19)15-25-24-14-21-20-11-4-5-12-22(20)27-23(21)16-26-24/h1-14,16,27H,15H2,(H,25,26) | Definition date: | 2018-10-31 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine |
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![AEX AEX](https://data.pdbj.org/pdbjplus/data/cc/svg/AEX.svg) | AEX | Name: | N-butyl-9H-beta-carbolin-3-amine | Formula: | C15 H17 N3 | SMILES: | c1c3c(cc(n1)NCCCC)c2c(cccc2)n3 | InChi: | InChI=1S/C15H17N3/c1-2-3-8-16-15-9-12-11-6-4-5-7-13(11)18-14(12)10-17-15/h4-7,9-10,18H,2-3,8H2,1H3,(H,16,17) | Definition date: | 2018-10-31 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | N-butyl-9H-beta-carbolin-3-amine |
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![EQF EQF](https://data.pdbj.org/pdbjplus/data/cc/svg/EQF.svg) | EQF | Name: | (3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione | Formula: | C12 H11 Cl F3 N3 O2 | SMILES: | C[CH]1[CH](C)C(=O)N(Nc2ccc(c(Cl)n2)C(F)(F)F)C1=O | InChi: | InChI=1S/C12H11ClF3N3O2/c1-5-6(2)11(21)19(10(5)20)18-8-4-3-7(9(13)17-8)12(14,15)16/h3-6H,1-2H3,(H,17,18)/t5-,6+ | Definition date: | 2020-01-21 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione |
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![FUO FUO](https://data.pdbj.org/pdbjplus/data/cc/svg/FUO.svg) | FUO | Name: | 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide | Formula: | C31 H36 N4 O3 | SMILES: | O=C(Cc1ccc(cn1)c2ccc(OCCN3CCN(CC3)C(=O)CC4CC4)cc2)NCc5ccccc5 | InChi: | InChI=1S/C31H36N4O3/c36-30(33-22-25-4-2-1-3-5-25)21-28-11-8-27(23-32-28)26-9-12-29(13-10-26)38-19-18-34-14-16-35(17-15-34)31(37)20-24-6-7-24/h1-5,8-13,23-24H,6-7,14-22H2,(H,33,36) | Definition date: | 2020-06-16 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide |
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![FW9 FW9](https://data.pdbj.org/pdbjplus/data/cc/svg/FW9.svg) | FW9 | Name: | N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine | Formula: | C19 H18 N4 O3 | SMILES: | COc1cccc(c1)c2cc(NCc3ccc4OCOc4c3)nc(N)n2 | InChi: | InChI=1S/C19H18N4O3/c1-24-14-4-2-3-13(8-14)15-9-18(23-19(20)22-15)21-10-12-5-6-16-17(7-12)26-11-25-16/h2-9H,10-11H2,1H3,(H3,20,21,22,23) | Definition date: | 2020-06-24 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | ~{N}4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine |
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![FWC FWC](https://data.pdbj.org/pdbjplus/data/cc/svg/FWC.svg) | FWC | Name: | N-Methylanthraniloyl-CoA | Formula: | C29 H43 N8 O17 P3 S | SMILES: | CNc1ccccc1C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34 | InChi: | InChI=1S/C29H43N8O17P3S/c1-29(2,23(40)26(41)33-9-8-19(38)32-10-11-58-28(42)16-6-4-5-7-17(16)31-3)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(30)34-14-35-25(20)37/h4-7,14-15,18,21-23,27,31,39-40H,8-13H2,1-3H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,30,34,35)(H2,43,44,45)/t18-,21-,22-,23+,27-/m1/s1 | Definition date: | 2020-06-25 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(methylamino)benzenecarbothioate |
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![QDZ QDZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QDZ.svg) | QDZ | Name: | ~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine | Formula: | C21 H21 N7 | SMILES: | CN(C)Cc1cnn(c1)c2ccnc3[nH]c(nc23)c4cccc5n(C)ccc45 | InChi: | InChI=1S/C21H21N7/c1-26(2)12-14-11-23-28(13-14)18-7-9-22-21-19(18)24-20(25-21)16-5-4-6-17-15(16)8-10-27(17)3/h4-11,13H,12H2,1-3H3,(H,22,24,25) | Definition date: | 2020-06-09 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | ~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine |
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![QE2 QE2](https://data.pdbj.org/pdbjplus/data/cc/svg/QE2.svg) | QE2 | Name: | 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid | Formula: | C17 H16 F N O4 S | SMILES: | OC(=O)c1cc(F)ccc1N[S](=O)(=O)c2ccc3CCCCc3c2 | InChi: | InChI=1S/C17H16FNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h5-10,19H,1-4H2,(H,20,21) | Definition date: | 2020-06-09 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid |
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![QE5 QE5](https://data.pdbj.org/pdbjplus/data/cc/svg/QE5.svg) | QE5 | Name: | 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid | Formula: | C15 H14 F N O4 S | SMILES: | Cc1ccc(cc1C)[S](=O)(=O)Nc2ccc(F)cc2C(O)=O | InChi: | InChI=1S/C15H14FNO4S/c1-9-3-5-12(7-10(9)2)22(20,21)17-14-6-4-11(16)8-13(14)15(18)19/h3-8,17H,1-2H3,(H,18,19) | Definition date: | 2020-06-10 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid |
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![QEK QEK](https://data.pdbj.org/pdbjplus/data/cc/svg/QEK.svg) | QEK | Name: | 2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid | Formula: | C23 H19 Cl N4 O5 S | SMILES: | Cc1ccc(N[S](=O)(=O)c2ccc(CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)c(c1)C(O)=O | InChi: | InChI=1S/C23H19ClN4O5S/c1-13-6-9-20(17(10-13)23(30)31)28-34(32,33)15-8-7-14(18(24)11-15)12-25-22(29)21-16-4-2-3-5-19(16)26-27-21/h2-11,28H,12H2,1H3,(H,25,29)(H,26,27)(H,30,31) | Definition date: | 2020-06-10 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid |
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![QEN QEN](https://data.pdbj.org/pdbjplus/data/cc/svg/QEN.svg) | QEN | Name: | 5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid | Formula: | C17 H12 Br N O4 S | SMILES: | OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3ccccc3c2 | InChi: | InChI=1S/C17H12BrNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h1-10,19H,(H,20,21) | Definition date: | 2020-06-10 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid |
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![QEZ QEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QEZ.svg) | QEZ | Name: | 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid | Formula: | C17 H16 Br N O4 S | SMILES: | OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3CCCCc3c2 | InChi: | InChI=1S/C17H16BrNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h5-10,19H,1-4H2,(H,20,21) | Definition date: | 2020-06-11 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid |
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![QF8 QF8](https://data.pdbj.org/pdbjplus/data/cc/svg/QF8.svg) | QF8 | Name: | ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide | Formula: | C22 H26 N10 O | SMILES: | CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[CH]5CCNC5)c(C)n4)cc12 | InChi: | InChI=1S/C22H26N10O/c1-13-17(26-15-6-8-24-11-15)12-32(29-13)19-7-9-25-22(28-19)27-14-4-5-18-16(10-14)20(21(33)23-2)30-31(18)3/h4-5,7,9-10,12,15,24,26H,6,8,11H2,1-3H3,(H,23,33)(H,25,27,28)/t15-/m1/s1 | Definition date: | 2020-06-15 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide |
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![QFB QFB](https://data.pdbj.org/pdbjplus/data/cc/svg/QFB.svg) | QFB | Name: | 7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide | Formula: | C22 H26 N10 O2 | SMILES: | CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(N[CH]5CCOC[CH]5N)cn4)cc12 | InChi: | InChI=1S/C22H26N10O2/c1-13-27-20(21(33)24-2)18-9-14(4-7-31(13)18)29-22-25-6-3-19(30-22)32-11-15(10-26-32)28-17-5-8-34-12-16(17)23/h3-4,6-7,9-11,16-17,28H,5,8,12,23H2,1-2H3,(H,24,33)(H,25,29,30)/t16-,17+/m0/s1 | Definition date: | 2020-06-15 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide |
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![QFE QFE](https://data.pdbj.org/pdbjplus/data/cc/svg/QFE.svg) | QFE | Name: | (3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine | Formula: | C23 H24 N8 O | SMILES: | Cn1ccc2c1cccc2c3[nH]c4nccc(n5cc(N[CH]6CCOC[CH]6N)cn5)c4n3 | InChi: | InChI=1S/C23H24N8O/c1-30-9-6-15-16(3-2-4-19(15)30)22-28-21-20(5-8-25-23(21)29-22)31-12-14(11-26-31)27-18-7-10-32-13-17(18)24/h2-6,8-9,11-12,17-18,27H,7,10,13,24H2,1H3,(H,25,28,29)/t17-,18+/m0/s1 | Definition date: | 2020-06-15 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine |
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![QFK QFK](https://data.pdbj.org/pdbjplus/data/cc/svg/QFK.svg) | QFK | Name: | 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide | Formula: | C20 H23 N9 O | SMILES: | CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(CN(C)C)cn4)cc12 | InChi: | InChI=1S/C20H23N9O/c1-13-24-18(19(30)21-2)16-9-15(6-8-28(13)16)25-20-22-7-5-17(26-20)29-12-14(10-23-29)11-27(3)4/h5-10,12H,11H2,1-4H3,(H,21,30)(H,22,25,26) | Definition date: | 2020-06-15 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide |
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![QFQ QFQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QFQ.svg) | QFQ | Name: | ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide | Formula: | C23 H28 N10 O | SMILES: | CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[CH]5CCCNC5)c(C)n4)cc12 | InChi: | InChI=1S/C23H28N10O/c1-14-18(27-16-5-4-9-25-12-16)13-33(30-14)20-8-10-26-23(29-20)28-15-6-7-19-17(11-15)21(22(34)24-2)31-32(19)3/h6-8,10-11,13,16,25,27H,4-5,9,12H2,1-3H3,(H,24,34)(H,26,28,29)/t16-/m1/s1 | Definition date: | 2020-06-15 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | ~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide |
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![H5O H5O](https://data.pdbj.org/pdbjplus/data/cc/svg/H5O.svg) | H5O | Name: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol | Formula: | C26 H27 F3 N8 O6 S | SMILES: | CO[CH]1[CH](O[CH](CO)[CH](O)[CH]1n2cc(nn2)c3cc(F)c(F)c(F)c3)S[CH]4COC[CH]([CH]4O)n5cc(nn5)c6cncnc6 | InChi: | InChI=1S/C26H27F3N8O6S/c1-41-25-22(37-7-16(32-35-37)12-2-14(27)21(29)15(28)3-12)24(40)19(8-38)43-26(25)44-20-10-42-9-18(23(20)39)36-6-17(33-34-36)13-4-30-11-31-5-13/h2-7,11,18-20,22-26,38-40H,8-10H2,1H3/t18-,19+,20+,22-,23+,24-,25+,26-/m0/s1 | Definition date: | 2020-11-12 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-5-methoxy-6-[(3~{R},4~{R},5~{S})-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol |
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