[3H]CGS 21680

Ligand id: 424

Name: [3H]CGS 21680    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 11
Topological polar surface area 197.74
Molecular weight 499.22
XLogP 2.12
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
Synonyms
[3H]-CGS21680
Database Links
PubChem CID 3086599
RCSB PDB Ligand NGI
Search Google for chemical match using the InChIKey PAOANWZGLPPROA-RQXXJAGISA-N
Search Google for chemicals with the same backbone PAOANWZGLPPROA
Search UniChem for chemical match using the InChIKey PAOANWZGLPPROA-RQXXJAGISA-N
Search UniChem for chemicals with the same backbone PAOANWZGLPPROA
SynPHARM 1469 (in complex with A2A receptor)
Comments
The position of the tritiated hydrogen(s) is not specified in the available literature therefore our structure does not show the position of the radiolabel.