BW-A1433

Ligand id: 443

Name: BW-A1433

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 106.6
Molecular weight 382.16
XLogP 3.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid
Synonyms
BWA1433
Database Links
BindingDB Ligand 50037440
CAS Registry No. 106465-45-6 (source: Scifinder)
ChEMBL Ligand CHEMBL16997
GtoPdb PubChem SID 135650042
PubChem CID 6439089
Search Google for chemical match using the InChIKey UGCOFEOEBHUEHA-JXMROGBWSA-N
Search Google for chemicals with the same backbone UGCOFEOEBHUEHA
Search UniChem for chemical match using the InChIKey UGCOFEOEBHUEHA-JXMROGBWSA-N
Search UniChem for chemicals with the same backbone UGCOFEOEBHUEHA