compound 13 [PMID: 17502136]

Ligand id: 8797

Name: compound 13 [PMID: 17502136]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 55.76
Molecular weight 469.96
XLogP 6.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Sulsky R, Magnin DR, Huang Y, Simpkins L, Taunk P, Patel M, Zhu Y, Stouch TR, Bassolino-Klimas D, Parker R et al.. (2007)
Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP).
Bioorg. Med. Chem. Lett., 17 (12): 3511-5. [PMID:17502136]