HIT ID: HIT101109988

Cas No: 924249-06-9

分子式: C24H24ClN5O4

分子量: 481.94

常用名: N-(2H-1,3-benzodioxol-5-ylmethyl)-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]acetamide, KRAS4b-IN-D14

氢键受体数 (HBA): 7

氢键供体数 (HBD): 1

LogP: 3.129

IUPAC: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(5-chloro-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl)piperazin-1-yl]acetamide

SMILES: Clc1c(cnn(-c2ccccc2)c1=O)N1CCN(CC(=O)NCc2ccc3OCOc3c2)CC1

InChI key: DIZJIARNIXENJV-UHFFFAOYSA-N