XCC

Ligand id: 451

Name: XCC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 115.83
Molecular weight 386.16
XLogP 2.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid
Database Links
BindingDB Ligand 50008405
CAS Registry No. 96865-83-7 (source: Scifinder)
ChEMBL Ligand CHEMBL27041
PubChem CID 126079
Search Google for chemical match using the InChIKey QTMMGCYGCFXBFI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QTMMGCYGCFXBFI
Search UniChem for chemical match using the InChIKey QTMMGCYGCFXBFI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QTMMGCYGCFXBFI