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

KEY

概要
表記:N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide
組成式:C18 H15 Cl N6 O2
電荷:0
化学式量:382.804 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide
OpenEye OEToolkits2.0.6~{N}-[3-(5-chloranyl-2-methoxy-phenyl)-1-methyl-pyrazol-4-yl]-1~{H}-pyrazolo[4,3-c]pyridine-7-carboxamide

化合物記述子（線形表記）

種別プログラムバージョン表記
SMILESACDLabs12.01c4(c3nn(cc3NC(=O)c1cncc2c1nnc2)C)cc(Cl)ccc4OC
InChIInChI1.03InChI=1S/C18H15ClN6O2/c1-25-9-14(17(24-25)12-5-11(19)3-4-15(12)27-2)22-18(26)13-8-20-6-10-7-21-23-16(10)13/h3-9H,1-2H3,(H,21,23)(H,22,26)
InChIKeyInChI1.03NBFASNUBTMTAFQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cncc4cn[nH]c34
SMILESCACTVS3.385COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cncc4cn[nH]c34
SMILES_CANONICALOpenEye OEToolkits2.0.6Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4
SMILESOpenEye OEToolkits2.0.6Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4

227111

件を2024-11-06に公開中

PDB statisticsPDBj update infoContact PDBjnumon