PSB36

Ligand id: 3285

Name: PSB36

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 89.53
Molecular weight 386.23
XLogP 3.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-(3-hydroxypropyl)-3,7-dihydro-1H-purine-2,6-dione
Synonyms
PSB-36
Database Links
CAS Registry No. 524944-72-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1316674
PubChem CID 11689583
Search Google for chemical match using the InChIKey CIBIXJYFYPFMTN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CIBIXJYFYPFMTN
Search UniChem for chemical match using the InChIKey CIBIXJYFYPFMTN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CIBIXJYFYPFMTN