MRGPRX2 modulator-1
HIT218848509
sdf文件结构编辑类似物检索
HIT ID: HIT218848509
Cas No: 2781839-42-5
分子式: C20H19F6N5O
分子量: 459.396
常用名: MRGPRX2 modulator-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[(1s,4s)-4-{[4-cyano-3-(trifluoromethyl)phenyl]amino}cyclohexyl]-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
IUPAC: N-[(1s,4s)-4-{[4-cyano-3-(trifluoromethyl)phenyl]amino}cyclohexyl]-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILES: FC(F)(F)Cn1cc(cn1)C(=O)N[C@H]1CC[C@H](CC1)Nc1ccc(C#N)c(c1)C(F)(F)F
SMILES: FC(F)(F)Cn1cc(cn1)C(=O)N[C@H]1CC[C@H](CC1)Nc1ccc(C#N)c(c1)C(F)(F)F
InChI key: PXLXKUSZBOCYBD-GASCZTMLSA-N
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