[11C]doxepin

Ligand id: 3958

Name: [11C]doxepin    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 12.47
Molecular weight 279.16
XLogP 5.11
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
Synonyms
[11C]-doxepin
Database Links
ChEMBL Ligand CHEMBL860
PubChem CID 667477
RCSB PDB Ligand 5EH
Search Google for chemical match using the InChIKey ODQWQRRAPPTVAG-GZTJUZNOSA-N
Search Google for chemicals with the same backbone ODQWQRRAPPTVAG
Search UniChem for chemical match using the InChIKey ODQWQRRAPPTVAG-GZTJUZNOSA-N
Search UniChem for chemicals with the same backbone ODQWQRRAPPTVAG
SynPHARM 9220 (in complex with H1 receptor)
Comments
Plase note that the image shown here does not specify the position of the carbon isotope.