C003
HIT105720503
sdf文件结构编辑类似物检索
HIT ID: HIT105720503
Cas No:
分子式: C19H15NO4S
分子量: 353.39
常用名: C003
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 5.0453024
IUPAC: 2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4-(4-methylphenyl)thiophene-3-carboxylic acid
IUPAC: 2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4-(4-methylphenyl)thiophene-3-carboxylic acid
SMILES: Cc1ccc(cc1)-c1csc(NC(=O)\C=C\c2ccco2)c1C(O)=O
SMILES: Cc1ccc(cc1)-c1csc(NC(=O)\C=C\c2ccco2)c1C(O)=O
InChI key: VMPSOGVIMUYKTH-CMDGGOBGSA-N
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