A-123189

Ligand id: 491

Name: A-123189

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 93.36
Molecular weight 476.19
XLogP 5.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1H-thieno[3,2-e]pyrimidine-2,4-dione
Synonyms
A 123189 | A123189
Database Links
BindingDB Ligand 50099325
CAS Registry No. 255713-53-2 (source: Scifinder)
ChEMBL Ligand CHEMBL13856
PubChem CID 9891167
Search Google for chemical match using the InChIKey PANBMHHKBRMYAL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PANBMHHKBRMYAL
Search UniChem for chemical match using the InChIKey PANBMHHKBRMYAL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PANBMHHKBRMYAL