compound 29a [PMID: 21444206]

Ligand id: 5741

Name: compound 29a [PMID: 21444206]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 133.1
Molecular weight 474.16
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl 4-[[3-(4-methylsulfonylphenyl)-[1,2]oxazolo[5,4-e]pyrimidin-7-yl]oxy]piperidine-1-carboxylate
Database Links
ChEMBL Ligand CHEMBL1773293
PubChem CID 11397354
Search Google for chemical match using the InChIKey JYRWUSXRTGACLY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JYRWUSXRTGACLY
Search UniChem for chemical match using the InChIKey JYRWUSXRTGACLY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JYRWUSXRTGACLY