GSK2008607
HIT212712742
sdf文件结构编辑类似物检索
HIT ID: HIT212712742
Cas No: 1244644-50-5
分子式: C31H28F3N7O3S2
分子量: 667.73
常用名: GSK2008607
氢键受体数 (HBA): 9
氢键供体数 (HBD): 2
LogP: 6.1824255
IUPAC: 2,6-difluoro-N-{2-fluoro-3-[5-(2-{[6-(morpholin-4-yl)pyridin-3-yl]amino}pyrimidin-4-yl)-2-(propan-2-yl)-1,3-thiazol-4-yl]phenyl}benzene-1-sulfonamide
IUPAC: 2,6-difluoro-N-{2-fluoro-3-[5-(2-{[6-(morpholin-4-yl)pyridin-3-yl]amino}pyrimidin-4-yl)-2-(propan-2-yl)-1,3-thiazol-4-yl]phenyl}benzene-1-sulfonamide
SMILES: CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
SMILES: CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
InChI key: AEUDFMRQSRTMSH-UHFFFAOYSA-N
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