[3H]apafant

Ligand id: 1859

Name: [3H]apafant    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 100.85
Molecular weight 455.12
XLogP 3.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one
Synonyms
[3H]WEB 2086
Database Links
ChEMBL Ligand CHEMBL280164
PubChem CID 65889
Search Google for chemical match using the InChIKey JGPJQFOROWSRRS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JGPJQFOROWSRRS