compound 22a [PMID: 21688779]

Ligand id: 6231

Name: compound 22a [PMID: 21688779]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 94.73
Molecular weight 283.09
XLogP 2.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(pyridin-2-yl)-5-thia-3,11,12-triazatricyclo[8.3.0.0^{2,6}]trideca-1(13),2(6),3,10-tetraen-4-amine
Database Links
ChEMBL Ligand CHEMBL1830707
PubChem CID 46836562
Search Google for chemical match using the InChIKey DBISXWCOHGUFSF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DBISXWCOHGUFSF
Search UniChem for chemical match using the InChIKey DBISXWCOHGUFSF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DBISXWCOHGUFSF