compound 5c [PMID: 27894870]

Ligand id: 9495

Name: compound 5c [PMID: 27894870]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 77.57
Molecular weight 375.13
XLogP 7.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Hur W, Rosen H, Gray NS. (2017)
A benzo[b]thiophene-based selective type 4 S1P receptor agonist.
Bioorg. Med. Chem. Lett.27 (1): 1-5. [PMID:27894870]