compound 3a [PMID: 21444206]

Ligand id: 5737

Name: compound 3a [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 473.17
XLogP 2.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl 4-[1-(4-methylsulfonylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl]oxypiperidine-1-carboxylate
Database Links
ChEMBL Ligand CHEMBL1775169
GtoPdb PubChem SID 178102363
PubChem CID 11282871
Search Google for chemical match using the InChIKey LZCNLEZPKDPKSO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LZCNLEZPKDPKSO
Search UniChem for chemical match using the InChIKey LZCNLEZPKDPKSO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LZCNLEZPKDPKSO