compound 49 [PMID: 24405707]

Ligand id: 8992

Name: compound 49 [PMID: 24405707]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 104.74
Molecular weight 708.42
XLogP 5.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Joshi P, Anderson C, Binch H, Hadida S, Yoo S, Bergeron D, Decker C, terHaar E, Moore J, Garcia-Guzman M et al.. (2014)
Identification of potent CNS-penetrant thiazolidinones as novel CGRP receptor antagonists.
Bioorg. Med. Chem. Lett., 24 (3): 845-9. [PMID:24405707]