compound (R)-10h [PMID: 22490048]

Ligand id: 7754

Name: compound (R)-10h [PMID: 22490048]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 92.35
Molecular weight 460.25
XLogP 3.85
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Kasai S, Kamata M, Masada S, Kunitomo J, Kamaura M, Okawa T, Takami K, Ogino H, Nakano Y, Ashina S et al.. (2012)
Synthesis, structure-activity relationship, and pharmacological studies of novel melanin-concentrating hormone receptor 1 antagonists 3-aminomethylquinolines: reducing human ether-a-go-go-related gene (hERG) associated liabilities.
J. Med. Chem., 55 (9): 4336-51. [PMID:22490048]