[3H]-almorexant

Ligand id: 9465

Name: [3H]-almorexant    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 50.8
Molecular weight 512.23
XLogP 8.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
GtoPdb PubChem SID 329968405
PubChem CID 124221648
Search Google for chemical match using the InChIKey DKMACHNQISHMDN-AJYYXEBVSA-N
Search Google for chemicals with the same backbone DKMACHNQISHMDN
Search UniChem for chemical match using the InChIKey DKMACHNQISHMDN-AJYYXEBVSA-N
Search UniChem for chemicals with the same backbone DKMACHNQISHMDN
Comments
A tritiated version of the orexin antagonist almorexant; weakly OX2-selective. Position of tritium ions taken from [1].