compound 21 [PMID: 25259874]

Ligand id: 8381

Name: compound 21 [PMID: 25259874]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 12
Topological polar surface area 156.98
Molecular weight 448.22
XLogP 4.88
No. Lipinski's rules broken 2

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]