HIT ID: HIT218848297
Cas No: 2839318-20-4
分子式: C33H32F9N5O5
分子量: 749.635
常用名: iBRD4-BD1 diTFA
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[2-methyl-5-(propan-2-yl)phenoxy]-4-[1-(piperidin-4-yl)-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidine; bis(trifluoroacetic acid)
IUPAC: 2-[2-methyl-5-(propan-2-yl)phenoxy]-4-[1-(piperidin-4-yl)-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidine; bis(trifluoroacetic acid)
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
InChI key: GUUBIJTYNCEMRN-UHFFFAOYSA-N
