Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
概要配置情報関連するPDBエントリー

4FR

概要
表記:3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide
別名:3'-Chloro-5'-{6-[2-methoxy-4-(1-methyl-piperidin-4-ylcarbamoyl)-phenylamino]-3-methyl-pyrazolo[4,3-c]pyridin-1-yl}-biphenyl-2-carboxylic acid amide
組成式:C34 H34 Cl N7 O3
電荷:0
化学式量:624.132 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.043'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide
OpenEye OEToolkits1.5.04-[[1-[3-(2-aminocarbonylphenyl)-5-chloro-phenyl]-3-methyl-pyrazolo[5,4-d]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

化合物記述子（線形表記）

種別プログラムバージョン表記
SMILESACDLabs10.04O=C(N)c1ccccc1c2cc(cc(Cl)c2)n6nc(c3c6cc(nc3)Nc5ccc(C(=O)NC4CCN(C)CC4)cc5OC)C
SMILES_CANONICALCACTVS3.341COc1cc(ccc1Nc2cc3n(nc(C)c3cn2)c4cc(Cl)cc(c4)c5ccccc5C(N)=O)C(=O)NC6CCN(C)CC6
SMILESCACTVS3.341COc1cc(ccc1Nc2cc3n(nc(C)c3cn2)c4cc(Cl)cc(c4)c5ccccc5C(N)=O)C(=O)NC6CCN(C)CC6
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C
SMILESOpenEye OEToolkits1.5.0Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C
InChIInChI1.03InChI=1S/C34H34ClN7O3/c1-20-28-19-37-32(39-29-9-8-21(16-31(29)45-3)34(44)38-24-10-12-41(2)13-11-24)18-30(28)42(40-20)25-15-22(14-23(35)17-25)26-6-4-5-7-27(26)33(36)43/h4-9,14-19,24H,10-13H2,1-3H3,(H2,36,43)(H,37,39)(H,38,44)
InChIKeyInChI1.03CQZVQAYBJDSPFL-UHFFFAOYSA-N

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon