HIT ID: HIT212710617
Cas No: 112887-62-4
分子式: C25H24N4O6
分子量: 476.489
常用名: ICI 198583
氢键受体数 (HBA): 9
氢键供体数 (HBD): 4
LogP: 2.1195645
IUPAC: (2S)-2-[(4-{[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid
IUPAC: (2S)-2-[(4-{[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid
SMILES: Cc1nc(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1
SMILES: Cc1nc(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1
InChI key: PMTUUSDTAKQWQJ-NRFANRHFSA-N
