HIT ID: HIT212715374
Cas No: 112888-26-3
分子式: C26H23F3N4O6
分子量: 544.487
常用名: CB 3988
氢键受体数 (HBA): 9
氢键供体数 (HBD): 4
LogP: 2.997413
IUPAC: (2S)-2-[(4-{[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}-2-(trifluoromethyl)phenyl)formamido]pentanedioic acid
IUPAC: (2S)-2-[(4-{[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}-2-(trifluoromethyl)phenyl)formamido]pentanedioic acid
SMILES: Cc1nc(=O)c2cc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(c3)C(F)(F)F)ccc2[nH]1
SMILES: Cc1nc(=O)c2cc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(c3)C(F)(F)F)ccc2[nH]1
InChI key: QVJDQRGWHLSUHB-NRFANRHFSA-N
