HIT ID: HIT212036706
Cas No: 1433497-19-8
分子式: C36H42N4O3
分子量: 578.757
常用名: LY2955303
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 4.9751973
IUPAC: 4-[5-(3,5-di-tert-butylphenyl)-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-pyrazol-3-yl]benzoic acid
IUPAC: 4-[5-(3,5-di-tert-butylphenyl)-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-pyrazol-3-yl]benzoic acid
SMILES: CN1CCN(CC1)C(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O
SMILES: CN1CCN(CC1)C(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O
InChI key: YVXYHNKIOFSFMZ-UHFFFAOYSA-N
