compound 1 [PMID: 24930776]

Ligand id: 9092

Name: compound 1 [PMID: 24930776]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 323.97
Molecular weight 676.13
XLogP 3.83
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Song Y, Margolles-Clark E, Bayer A, Buchwald P. (2014)
Small-molecule modulators of the OX40-OX40 ligand co-stimulatory protein-protein interaction.
Br. J. Pharmacol.171 (21): 4955-69. [PMID:24930776]