A-119637

Ligand id: 490

Name: A-119637

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 462.17
XLogP 4.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1H-thieno[3,2-e]pyrimidine-2,4-dione
Synonyms
A 119637 | A119637
Database Links
BindingDB Ligand 50099322
CAS Registry No. 255713-47-4 (source: Scifinder)
ChEMBL Ligand CHEMBL268758
GtoPdb PubChem SID 135649867
PubChem CID 9890547
Search Google for chemical match using the InChIKey HLVQBOYEHQRWHG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HLVQBOYEHQRWHG
Search UniChem for chemical match using the InChIKey HLVQBOYEHQRWHG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HLVQBOYEHQRWHG