A-850002

Ligand id: 6355

Name: A-850002

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 64.68
Molecular weight 336.1
XLogP 2.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
Synonyms
Names References
A 850002
A850002
compound 28b [PMID: 16279797] 1
Database Links
CAS Registry No. 869802-73-3 (source: Scifinder)
ChEMBL Ligand CHEMBL223869
PubChem CID 11515548
Search Google for chemical match using the InChIKey LPWKFUVWWQYLOD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LPWKFUVWWQYLOD