HIT ID: HIT212713267
Cas No: 128139-14-0
分子式: C51H67N5O4
分子量: 814.128
常用名: PD 125967
氢键受体数 (HBA): 5
氢键供体数 (HBD): 5
LogP: 9.342505
IUPAC: 6-cyclohexyl-4-hydroxy-5-[3-(1H-imidazol-4-yl)-2-[3-(naphthalen-1-yl)-2-[(naphthalen-1-yl)methyl]propanamido]propanamido]-N-(2-methylbutyl)-2-(2-methylpropyl)hexanamide
IUPAC: 6-cyclohexyl-4-hydroxy-5-[3-(1H-imidazol-4-yl)-2-[3-(naphthalen-1-yl)-2-[(naphthalen-1-yl)methyl]propanamido]propanamido]-N-(2-methylbutyl)-2-(2-methylpropyl)hexanamide
SMILES: CCC(C)CNC(=O)C(CC(C)C)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
SMILES: CCC(C)CNC(=O)C(CC(C)C)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
InChI key: SIGGSNKWBGJQQB-UHFFFAOYSA-N
