CC-115 hydrochloride
HIT212728993
sdf文件结构编辑类似物检索
HIT ID: HIT212728993
Cas No: 1300118-55-1
分子式: C16H17ClN8O
分子量: 372.82
常用名: CC-115 hydrochloride
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: -1.2118232
IUPAC: 1-ethyl-7-[2-methyl-6-(4H-1,2,4-triazol-3-yl)pyridin-3-yl]-1H,2H,3H,5H-[1,4]diazino[2,3-b]pyrazin-2-one hydrochloride
IUPAC: 1-ethyl-7-[2-methyl-6-(4H-1,2,4-triazol-3-yl)pyridin-3-yl]-1H,2H,3H,5H-[1,4]diazino[2,3-b]pyrazin-2-one hydrochloride
SMILES: Cl.CCN1C(=O)CN=c2[nH]cc(nc12)-c1ccc(nc1C)-c1nnc[nH]1 |t:6|
SMILES: Cl.CCN1C(=O)CN=c2[nH]cc(nc12)-c1ccc(nc1C)-c1nnc[nH]1 |t:6|
InChI key: RDIPJCOMBMBHJF-UHFFFAOYSA-N
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