compound 21n [PMID: 17656086]

Ligand id: 8750

Name: compound 21n [PMID: 17656086]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 127.18
Molecular weight 597.22
XLogP 5.87
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Weinstein DS, Liu W, Ngu K, Langevine C, Combs DW, Zhuang S, Chen C, Madsen CS, Harper TW, Robl JA. (2007)
Discovery of selective imidazole-based inhibitors of mammalian 15-lipoxygenase: highly potent against human enzyme within a cellular environment.
Bioorg. Med. Chem. Lett., 17 (18): 5115-20. [PMID:17656086]