TPA023

Ligand id: 4327

Name: TPA023

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 83.02
Molecular weight 395.19
XLogP 5.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-({[7-tert-butyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}methyl)-1-ethyl-1H-1,2,4-triazole
Synonyms
TPA 023 | TPA-023
Database Links
CAS Registry No. 252977-51-8 (source: Scifinder)
ChEMBL Ligand CHEMBL200177
PubChem CID 9908684
Search Google for chemical match using the InChIKey QKIWQBLNTSQOLY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QKIWQBLNTSQOLY
Search UniChem for chemical match using the InChIKey QKIWQBLNTSQOLY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QKIWQBLNTSQOLY
Wikipedia TPA-023