HIT ID: HIT212672463
Cas No: 1040526-12-2
分子式: C27H23ClF4N4O3
分子量: 562.95
常用名: LP-533401 hydrochloride
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 3.7379012
IUPAC: (2S)-2-amino-3-{4-[2-amino-6-(2,2,2-trifluoro-1-{3'-fluoro-[1,1'-biphenyl]-4-yl}ethoxy)pyrimidin-4-yl]phenyl}propanoic acid hydrochloride
IUPAC: (2S)-2-amino-3-{4-[2-amino-6-(2,2,2-trifluoro-1-{3'-fluoro-[1,1'-biphenyl]-4-yl}ethoxy)pyrimidin-4-yl]phenyl}propanoic acid hydrochloride
SMILES: Cl.N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccc(cc2)-c2cccc(F)c2)C(F)(F)F)nc(N)n1)C(O)=O
SMILES: Cl.N[C@@H](Cc1ccc(cc1)-c1cc(OC(c2ccc(cc2)-c2cccc(F)c2)C(F)(F)F)nc(N)n1)C(O)=O
InChI key: BHBWZCUMIXCDPM-CHXZROHQSA-N
