DU172

Ligand id: 9530

Name: DU172

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 140.92
Molecular weight 519.2
XLogP 3.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propylcarbamoyl]benzenesulfonyl fluoride
Database Links
GtoPdb PubChem SID 336446916
PubChem CID 10839674
RCSB PDB Ligand DU1
Search Google for chemical match using the InChIKey KAJVJPLKXGLLDA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KAJVJPLKXGLLDA
Search UniChem for chemical match using the InChIKey KAJVJPLKXGLLDA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KAJVJPLKXGLLDA
Comments
Selective covalent A1 receptor antagonist.