compound 4 [PMID: 25259874]

Ligand id: 8384

Name: compound 4 [PMID: 25259874]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 14
Topological polar surface area 153.6
Molecular weight 428.19
XLogP 4.69
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Reid RC, Yau MK, Singh R, Hamidon JK, Lim J, Stoermer MJ, Fairlie DP. (2014)
Potent heterocyclic ligands for human complement c3a receptor.
J. Med. Chem., 57 (20): 8459-70. [PMID:25259874]