compound 1j [PMID: 26314925]

Ligand id: 8835

Name: compound 1j [PMID: 26314925]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 92.88
Molecular weight 502.06
XLogP 6.4
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Li YL, Qi XY, Jiang H, Deng XD, Dong YP, Ding TB, Zhou L, Men P, Chu Y, Wang RX et al.. (2015)
Discovery, synthesis and biological evaluation of 2-(4-(N-phenethylsulfamoyl)phenoxy)acetamides (SAPAs) as novel sphingomyelin synthase 1 inhibitors.
Bioorg. Med. Chem.23 (18): 6173-84. [PMID:26314925]