Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

BBO

概要
表記:2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
組成式:C19 H20 N2 O3
電荷:0
化学式量:324.374 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.012-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
OpenEye OEToolkits2.0.62-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01c1c3c4c(cc1)cccc4C(=O)N(CCCN2CCOCC2)C3=O
InChIInChI1.03InChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2
InChIKeyInChI1.03GQPIEFFYGONFTJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1N(CCCN2CCOCC2)C(=O)c3cccc4cccc1c34
SMILESCACTVS3.385O=C1N(CCCN2CCOCC2)C(=O)c3cccc4cccc1c34
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4
SMILESOpenEye OEToolkits2.0.6c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon