Ro15-4513
HIT212673057
sdf文件结构编辑类似物检索
HIT ID: HIT212673057
Cas No: 91917-65-6
分子式: C15H14N6O3
分子量: 326.316
常用名: Ro15-4513
氢键受体数 (HBA): 5
氢键供体数 (HBD): 0
LogP: 1.672136
IUPAC: ethyl 12-azido-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 12-azido-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)c1cc(ccc-21)N=[N+]=[N-]
SMILES: CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
InChI key: CFSOJZTUTOQNIA-UHFFFAOYSA-N
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