HIT ID: HIT100841305

Cas No: 1164500-72-4

分子式: C24H22N2O5S2

分子量: 482.57

常用名: ML 145

氢键受体数 (HBA): 5

氢键供体数 (HBD): 3

LogP: 5.1760583

IUPAC: 2-hydroxy-4-{4-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamido}benzoic acid

SMILES: C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1

InChI key: COFMYJWNXSFLKQ-QIROLCGISA-N