Name: PKC-theta inhibitor hcl
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212655742
Cas No:2253640-49-0
常用名:PKC-theta inhibitor hcl
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
InChI key:DAMOOQKWLUXEGI-UHFFFAOYSA-N

分子式:C20H26ClF3N6O3
分子量:490.91
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:4.9498
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

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