MRE 2029F20

Ligand id: 390

Name: MRE 2029F20

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 143.91
Molecular weight 509.2
XLogP 1.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide
Synonyms
MRE-2029F20
Database Links
BindingDB Ligand 50229885
CAS Registry No. 574753-99-4 (source: Scifinder)
ChEMBL Ligand CHEMBL260331
PubChem CID 66953473
Search Google for chemical match using the InChIKey DBWQRFKXNBVPGA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DBWQRFKXNBVPGA
Search UniChem for chemical match using the InChIKey DBWQRFKXNBVPGA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DBWQRFKXNBVPGA
Comments
The tautomeric structure shown here is replicated from the references listed [1-2] and may not be identical to representations of the same compound in different databases, where alternative tautomers may be shown e.g. CID 44451245.