Sarmazenil
HIT212673109
sdf文件结构编辑类似物检索
HIT ID: HIT212673109
Cas No: 78771-13-8
分子式: C15H14ClN3O3
分子量: 319.75
常用名: Sarmazenil
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 1.8558111
IUPAC: ethyl 11-chloro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate
IUPAC: ethyl 11-chloro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate
SMILES: CCOC(=O)c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21
SMILES: CCOC(=O)c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21
InChI key: WSDBAFQWNWJTNG-UHFFFAOYSA-N
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