8-cyclopentyltheophylline

Ligand id: 385

Name: 8-cyclopentyltheophylline

Abbreviated name: CPT

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 69.3
Molecular weight 248.13
XLogP 1.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione
Database Links
BindingDB Ligand 50004569
CAS Registry No. 35873-49-5
ChEMBL Ligand CHEMBL106265
PubChem CID 1917
Search Google for chemical match using the InChIKey SCVHFRLUNIOSGI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SCVHFRLUNIOSGI
Search UniChem for chemical match using the InChIKey SCVHFRLUNIOSGI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SCVHFRLUNIOSGI
Wikipedia 8-Cyclopentyl-1,3-dimethylxanthine