AZ11645373

Ligand id: 4142

Name: AZ11645373

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 127.94
Molecular weight 463.12
XLogP 5.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
3-{1-[4-(3-nitrophenyl)phenoxy]-4-(pyridin-4-yl)butan-2-yl}-1,3-thiazolidine-2,4-dione
Synonyms
AZ 11645373 | AZ-11645373
Database Links
CAS Registry No. 227088-94-0 (source: Scifinder)
ChEMBL Ligand CHEMBL338117
GtoPdb PubChem SID 178100964
PubChem CID 9804433
Search Google for chemical match using the InChIKey VQEHBLGYANQWEA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VQEHBLGYANQWEA
Search UniChem for chemical match using the InChIKey VQEHBLGYANQWEA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VQEHBLGYANQWEA

Product suppliers

Tocris
AZ 11645373
Cat. No. 3317