Name: CB 3988
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212715374
Cas No:112888-26-3
常用名:CB 3988
别名:CB-3988, CB3988
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
InChI key:QVJDQRGWHLSUHB-NRFANRHFSA-N

分子式:C26H23F3N4O6
分子量:544.487
氢键供体数 (HBD):4
氢键受体数 (HBA):9
LogP:2.997413
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

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