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
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.
Database Links
BindingDB Ligand 50229885
CAS Registry No. 574753-99-4 (source: Scifinder)
ChEMBL Ligand CHEMBL260331
GtoPdb PubChem SID 135650630
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