PF-04929113 Mesylate
HIT212651147
sdf文件结构编辑类似物检索
HIT ID: HIT212651147
Cas No: 1173111-67-5
分子式: C26H34F3N5O7S
分子量: 617.64
常用名: PF-04929113 Mesylate
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 2.8847678
IUPAC: 4-({2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexyl 2-aminoacetate; methanesulfonic acid
IUPAC: 4-({2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexyl 2-aminoacetate; methanesulfonic acid
SMILES: CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCC(CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1
SMILES: CS(O)(=O)=O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCC(CC3)OC(=O)CN)c2)C(F)(F)F)C(=O)C1
InChI key: NVGFSTMGRRADRG-UHFFFAOYSA-N
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TargetMol
SC
6771-3天 购物车
Mcule
SC
8594-5周 购物车
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