D75-4590
HIT101010091
sdf文件结构编辑类似物检索
HIT ID: HIT101010091
Cas No: 384376-42-5
分子式: C21H27N5
分子量: 349.482
常用名: D75-4590
氢键受体数 (HBA): 0
氢键供体数 (HBD): 1
LogP: 5.784000000000000e+000
IUPAC: 13-{[2-(diethylamino)ethyl]amino}-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile
IUPAC: 13-{[2-(diethylamino)ethyl]amino}-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile
SMILES: CCN(CC)CCNc1c(CC)c(C)c(C#N)c2nc3ccccc3n12
SMILES: CCN(CC)CCNc1c(CC)c(C)c(C#N)c2nc3ccccc3n12
InChI key: DMKNXKIUSPUYQP-UHFFFAOYSA-N
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