compound 5B [PMID: 25349648]

Ligand id: 7831

Name: compound 5B [PMID: 25349648]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 91.34
Molecular weight 488.2
XLogP 4.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. He S, Hong Q, Lai Z, Yang DX, Ting PC, Kuethe JT, Cernak TA, Dykstra KD, Sperbeck DM, Wu Z et al.. (2014)
Discovery of a Potent and Selective DGAT1 Inhibitor with a Piperidinyl-oxy-cyclohexanecarboxylic Acid Moiety.
ACS Med Chem Lett, 5 (10): 1082-7. [PMID:25349648]