Repirinast
HIT212709554
sdf文件结构编辑类似物检索
HIT ID: HIT212709554
Cas No: 73080-51-0
分子式: C20H21NO5
分子量: 355.39
常用名: Repirinast
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 3.581998
IUPAC: 3-methylbutyl 7,8-dimethyl-4,5-dioxo-4H,5H,6H-pyrano[3,2-c]quinoline-2-carboxylate
IUPAC: 3-methylbutyl 7,8-dimethyl-4,5-dioxo-4H,5H,6H-pyrano[3,2-c]quinoline-2-carboxylate
SMILES: CC(C)CCOC(=O)c1cc(=O)c2c(o1)c1ccc(C)c(C)c1[nH]c2=O
SMILES: CC(C)CCOC(=O)c1cc(=O)c2c(o1)c1ccc(C)c(C)c1[nH]c2=O
InChI key: NFQIAEMCQGTTIR-UHFFFAOYSA-N
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