HIT ID: HIT219250844
Cas No:
分子式: C28H22ClNO6
分子量: 503.94
常用名: PTPN22-IN-2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[(1E)-2-(3-chlorophenyl)ethenyl]-2-{4-[(cyclopropylcarbamoyl)methoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid
IUPAC: 3-[(1E)-2-(3-chlorophenyl)ethenyl]-2-{4-[(cyclopropylcarbamoyl)methoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid
SMILES: OC(=O)c1cc2c(\C=C\c3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
SMILES: OC(=O)c1cc2c(\C=C\c3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
InChI key: XSMRNXIWRYIUHF-NYYWCZLTSA-N
