GSK299423
HIT212716269
sdf文件结构编辑类似物检索
HIT ID: HIT212716269
Cas No: 1352149-24-6
分子式: C25H27N5O2S
分子量: 461.58
常用名: GSK299423
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 2.2357922
IUPAC: 6-methoxy-4-(2-{4-[({2H-[1,3]oxathiolo[5,4-c]pyridin-6-yl}methyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile
IUPAC: 6-methoxy-4-(2-{4-[({2H-[1,3]oxathiolo[5,4-c]pyridin-6-yl}methyl)amino]piperidin-1-yl}ethyl)quinoline-3-carbonitrile
SMILES: COc1ccc2ncc(C#N)c(CCN3CCC(CC3)NCc3cc4SCOc4cn3)c2c1
SMILES: COc1ccc2ncc(C#N)c(CCN3CCC(CC3)NCc3cc4SCOc4cn3)c2c1
InChI key: NKXJSCXEAVZSMF-UHFFFAOYSA-N
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