compound 12e [PMID: 22266036]

Ligand id: 6357

Name: compound 12e [PMID: 22266036]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 82.7
Molecular weight 363.1
XLogP 3.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
13-(cyclopropylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
Database Links
ChEMBL Ligand CHEMBL1951683
PubChem CID 16118537
Search Google for chemical match using the InChIKey ZUUBRGCTXRXCLV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZUUBRGCTXRXCLV
Search UniChem for chemical match using the InChIKey ZUUBRGCTXRXCLV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZUUBRGCTXRXCLV