compound 43 [PMID: 26751273]

Ligand id: 9492

Name: compound 43 [PMID: 26751273]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 121.61
Molecular weight 461.13
XLogP 3.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Demont EH, Bailey JM, Bit RA, Brown JA, Campbell CA, Deeks N, Dowell SJ, Eldred C, Gaskin P, Gray JR et al.. (2016)
Discovery of Tetrahydropyrazolopyridine as Sphingosine 1-Phosphate Receptor 3 (S1P3)-Sparing S1P1 Agonists Active at Low Oral Doses.
J. Med. Chem.59 (3): 1003-20. [PMID:26751273]