HIT ID: HIT212655742
Cas No: 2253640-49-0
分子式: C20H26ClF3N6O3
分子量: 490.91
常用名: PKC-theta inhibitor hcl
氢键受体数 (HBA): 8
氢键供体数 (HBD): 3
LogP: 4.9498
IUPAC: N4-{[4-(aminomethyl)cyclohexyl]methyl}-5-nitro-N2-{[2-(trifluoromethoxy)phenyl]methyl}pyrimidine-2,4-diamine hydrochloride
IUPAC: N4-{[4-(aminomethyl)cyclohexyl]methyl}-5-nitro-N2-{[2-(trifluoromethoxy)phenyl]methyl}pyrimidine-2,4-diamine hydrochloride
SMILES: Cl.NCC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+]([O-])=O)CC1
SMILES: Cl.NCC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+]([O-])=O)CC1
InChI key: DAMOOQKWLUXEGI-UHFFFAOYSA-N