A-841720

Ligand id: 3953

Name: A-841720

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 67.92
Molecular weight 343.15
XLogP 1.2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(azepan-1-yl)-9-(dimethylamino)pyrido[1,2]thieno[3,4-d]pyrimidin-4-one
Synonyms
A 841720 | A841720
Database Links
CAS Registry No. 869802-58-4 (source: Scifinder)
ChEMBL Ligand CHEMBL386565
GtoPdb PubChem SID 178100780
PubChem CID 11559235
Search Google for chemical match using the InChIKey GYWGXEGOXODOQU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GYWGXEGOXODOQU
Search UniChem for chemical match using the InChIKey GYWGXEGOXODOQU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GYWGXEGOXODOQU