compound 23 [PMID: 21444206]

Ligand id: 5740

Name: compound 23 [PMID: 21444206]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 139.41
Molecular weight 507.16
XLogP 2.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl 4-{[9-(2-fluoro-4-methanesulfonylphenyl)-8-oxo-8,9-dihydro-7H-purin-6-yl]oxy}piperidine-1-carboxylate
Database Links
ChEMBL Ligand CHEMBL1773292
PubChem CID 54582152
Search Google for chemical match using the InChIKey AXLNAZYMBNKFJO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AXLNAZYMBNKFJO
Search UniChem for chemical match using the InChIKey AXLNAZYMBNKFJO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AXLNAZYMBNKFJO