compound 5i [PMID: 24099220]

Ligand id: 8223

Name: compound 5i [PMID: 24099220]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 80.52
Molecular weight 293.04
XLogP 2.85
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Yang S, Li X, Hu F, Li Y, Yang Y, Yan J, Kuang C, Yang Q. (2013)
Discovery of tryptanthrin derivatives as potent inhibitors of indoleamine 2,3-dioxygenase with therapeutic activity in Lewis lung cancer (LLC) tumor-bearing mice.
J. Med. Chem., 56 (21): 8321-31. [PMID:24099220]