MRS1706

Ligand id: 3287

Name: MRS1706

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 128.08
Molecular weight 503.22
XLogP 5.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-1,2,3,6-tetrahydropurin-8-yl)phenoxy]acetamide
Synonyms
MRS 1706 | MRS-1706
Database Links
CAS Registry No. 264622-53-9 (source: Scifinder)
ChEMBL Ligand CHEMBL17002
GtoPdb PubChem SID 178100328
PubChem CID 5139184
Search Google for chemical match using the InChIKey ZKUCFFYOQOJLGT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZKUCFFYOQOJLGT
Search UniChem for chemical match using the InChIKey ZKUCFFYOQOJLGT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZKUCFFYOQOJLGT
Wikipedia MRS-1706

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Tocris
MRS 1706
Cat. No. 1584