HIT ID: HIT218697542

Cas No: 2136325-05-6

分子式: C25H27FN4O4

分子量: 466.513

常用名: 1-({4-fluoro-3-[3-oxo-4-(pentan-3-yl)piperazine-1-carbonyl]phenyl}methyl)-3H-quinazoline-2,4-dione, PARP7-IN-16 free base

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 1-({4-fluoro-3-[3-oxo-4-(pentan-3-yl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

SMILES: CCC(CC)N1CCN(CC1=O)C(=O)c1cc(Cn2c3ccccc3c(=O)[nH]c2=O)ccc1F

InChI key: WKXCQZQWHUTWSY-UHFFFAOYSA-N