compound 8g [PMID: 21444206]

Ligand id: 5739

Name: compound 8g [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 140.96
Molecular weight 507.14
XLogP 2.9
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]sulfanyl}piperidine-1-carboxylate
Database Links
ChEMBL Ligand CHEMBL1773283
PubChem CID 53630410
Search Google for chemical match using the InChIKey KRCCTTRJUJRZKA-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey KRCCTTRJUJRZKA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KRCCTTRJUJRZKA