CDK4/6-IN-5
HIT214323400
sdf文件结构编辑类似物检索
HIT ID: HIT214323400
Cas No: 2380321-50-4
分子式: C22H28ClFN6O4S
分子量: 527.01
常用名: CDK4/6-IN-5
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3R,4R)-4-[(5-chloro-4-{4-fluoro-2-[(1R)-1-hydroxyethyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl}pyrimidin-2-yl)amino]-1-methanesulfonylpiperidin-3-ol
IUPAC: (3R,4R)-4-[(5-chloro-4-{4-fluoro-2-[(1R)-1-hydroxyethyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl}pyrimidin-2-yl)amino]-1-methanesulfonylpiperidin-3-ol
SMILES: C[C@@H](O)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
SMILES: C[C@@H](O)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl
InChI key: KSCSDVHAZVSGAW-XHBKTUGNSA-N
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