compound 11s [PMID: 19433355]

Ligand id: 6215

Name: compound 11s [PMID: 19433355]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 82.7
Molecular weight 362.08
XLogP 2.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4-methoxyphenyl)-13-[(prop-2-yn-1-yl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
Database Links
ChEMBL Ligand CHEMBL1783876
PubChem CID 23634102
Search Google for chemical match using the InChIKey WIAAIYJUCDAKFY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WIAAIYJUCDAKFY
Search UniChem for chemical match using the InChIKey WIAAIYJUCDAKFY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WIAAIYJUCDAKFY