HIT ID: HIT214982986
Cas No: 1809010-52-3
分子式: C30H28Cl2F4N6O
分子量: 635.49
常用名: Berotralstat HCl
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[3-(aminomethyl)phenyl]-N-{5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide dihydrochloride
IUPAC: 1-[3-(aminomethyl)phenyl]-N-{5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide dihydrochloride
SMILES: Cl.Cl.NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)[C@H](NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
SMILES: Cl.Cl.NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)[C@H](NCC1CC1)c1cccc(c1)C#N)C(F)(F)F
InChI key: XFZLBLTUANGZBD-QDSLRZTOSA-N
