compound 29b [PMID: 20809633]

Ligand id: 6430

Name: compound 29b [PMID: 20809633]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 42.16
Molecular weight 333.13
XLogP 4.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[5-(3-ethynyl-5-fluorophenyl)-4H,5H,6H,7H,8H-[1,3]oxazolo[4,5-c]azepin-2-yl]pyridine
Database Links
PubChem CID 73755220
Search Google for chemical match using the InChIKey MVXAKOGJWVQPKC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MVXAKOGJWVQPKC
Search UniChem for chemical match using the InChIKey MVXAKOGJWVQPKC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MVXAKOGJWVQPKC