[3H]XAC

Ligand id: 432

Name: [3H]XAC    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 133.65
Molecular weight 428.22
XLogP 1.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
Synonyms
[3H]xanthine amine congener
Database Links
ChEMBL Ligand CHEMBL273094
PubChem CID 5697
RCSB PDB Ligand XAC
Search Google for chemical match using the InChIKey FIQGIOAELHTLHM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FIQGIOAELHTLHM
Search UniChem for chemical match using the InChIKey FIQGIOAELHTLHM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FIQGIOAELHTLHM
SynPHARM 1494 (in complex with A2A receptor)