PD81723

Ligand id: 9445

Name: PD81723

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 71.33
Molecular weight 299.06
XLogP 4.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2-amino-4,5-dimethylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
Database Links
PubChem CID 122028
Search Google for chemical match using the InChIKey KKDKAWKYGCUOGR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KKDKAWKYGCUOGR
Search UniChem for chemical match using the InChIKey KKDKAWKYGCUOGR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KKDKAWKYGCUOGR
Comments
Allosteric potentiator at the adenosine A1 receptor.