compound 5k [PMID: 23528296]

Ligand id: 8801

Name: compound 5k [PMID: 23528296]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 89.6
Molecular weight 375.15
XLogP 2.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Matsufuji T, Ikeda M, Naito A, Hirouchi M, Kanda S, Izumi M, Harada J, Shinozuka T. (2013)
Arylpiperazines as fatty acid transport protein 1 (FATP1) inhibitors with improved potency and pharmacokinetic properties.
Bioorg. Med. Chem. Lett., 23 (9): 2560-5. [PMID:23528296]