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

G7R

概要
表記:4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine
組成式:C31 H36 N4 O6
電荷:0
化学式量:560.641 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.014-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine
OpenEye OEToolkits2.0.74-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-quinazolin-2-amine

化合物記述子（線形表記）

種別プログラムバージョン表記
SMILESACDLabs12.01COc1ccc(cc1OC)CCNc1nc2cc(OC)c(OC)cc2c(n1)N1Cc2cc(OC)c(cc2CC1)OC
InChIInChI1.03InChI=1S/C31H36N4O6/c1-36-24-8-7-19(13-25(24)37-2)9-11-32-31-33-23-17-29(41-6)28(40-5)16-22(23)30(34-31)35-12-10-20-14-26(38-3)27(39-4)15-21(20)18-35/h7-8,13-17H,9-12,18H2,1-6H3,(H,32,33,34)
InChIKeyInChI1.03PPMZZFZYBXDSRH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CCNc2nc3cc(OC)c(OC)cc3c(n2)N4CCc5cc(OC)c(OC)cc5C4)cc1OC
SMILESCACTVS3.385COc1ccc(CCNc2nc3cc(OC)c(OC)cc3c(n2)N4CCc5cc(OC)c(OC)cc5C4)cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(cc1OC)CCNc2nc3cc(c(cc3c(n2)N4CCc5cc(c(cc5C4)OC)OC)OC)OC
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1OC)CCNc2nc3cc(c(cc3c(n2)N4CCc5cc(c(cc5C4)OC)OC)OC)OC

224931

件を2024-09-11に公開中

PDB statisticsPDBj update infoContact PDBjnumon