compound 17c [PMID: 25497965]

Ligand id: 8507

Name: compound 17c [PMID: 25497965]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 108.83
Molecular weight 493.18
XLogP 4.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Matsufuji T, Shimada K, Kobayashi S, Ichikawa M, Kawamura A, Fujimoto T, Arita T, Hara T, Konishi M, Abe-Ohya R et al.. (2015)
Synthesis and biological evaluation of novel chiral diazepine derivatives as bombesin receptor subtype-3 (BRS-3) agonists incorporating an antedrug approach.
Bioorg. Med. Chem., 23 (1): 89-104. [PMID:25497965]