NBI-31772
HIT212689175
sdf文件结构编辑类似物检索
HIT ID: HIT212689175
Cas No: 374620-70-9
分子式: C17H11NO7
分子量: 341.275
常用名: NBI-31772
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: 2.4194255
IUPAC: 1-(3,4-dihydroxybenzoyl)-6,7-dihydroxyisoquinoline-3-carboxylic acid
IUPAC: 1-(3,4-dihydroxybenzoyl)-6,7-dihydroxyisoquinoline-3-carboxylic acid
SMILES: OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
SMILES: OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
InChI key: ZCMFEWUYBFMLIN-UHFFFAOYSA-N
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