HIT ID: HIT212079923
Cas No: 1032900-25-6
分子式: C28H36ClN5O3S
分子量: 558.14
常用名: Ceritinib
氢键受体数 (HBA): 8
氢键供体数 (HBD): 3
LogP: 6.713
IUPAC: 5-chloro-N2-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
IUPAC: 5-chloro-N2-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
SMILES: CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
SMILES: CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
InChI key: VERWOWGGCGHDQE-UHFFFAOYSA-N
