MRS1086

Ligand id: 398

Name: MRS1086

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 72.45
Molecular weight 442.2
XLogP 4.33
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(2,4-diethoxyphenyl)-3,5,7-triethoxychromen-4-one
Synonyms
MRS-1086
Database Links
BindingDB Ligand 50051357
CAS Registry No. 176220-93-2 (source: Scifinder)
ChEMBL Ligand CHEMBL74505
PubChem CID 10813088
Search Google for chemical match using the InChIKey JVGSHXMDRPGOQM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JVGSHXMDRPGOQM
Search UniChem for chemical match using the InChIKey JVGSHXMDRPGOQM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JVGSHXMDRPGOQM