compound 3j [PMID: 21444206]

Ligand id: 5738

Name: compound 3j [PMID: 21444206]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 124.89
Molecular weight 491.16
XLogP 2.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}piperidine-1-carboxylate
Database Links
ChEBI CHEBI:1246233
ChEMBL Ligand CHEMBL1775178
GtoPdb PubChem SID 178102364
PubChem CID 53630394
Search Google for chemical match using the InChIKey FEAQKOJMPVAIBR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FEAQKOJMPVAIBR
Search UniChem for chemical match using the InChIKey FEAQKOJMPVAIBR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FEAQKOJMPVAIBR