A-794282

Ligand id: 6211

Name: A-794282

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 64.68
Molecular weight 350.12
XLogP 3.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
13-(dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
Synonyms
A 794282 | A794282 | compound 1n [PMID: 16279797] [1]
Database Links
CAS Registry No. 869802-44-8 (source: Scifinder)
ChEMBL Ligand CHEMBL385336
PubChem CID 11530404
Search Google for chemical match using the InChIKey VCUKKMIXURRDKL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VCUKKMIXURRDKL
Search UniChem for chemical match using the InChIKey VCUKKMIXURRDKL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VCUKKMIXURRDKL