MRS923

Ligand id: 401

Name: MRS923

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 72.45
Molecular weight 372.12
XLogP 2.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(2,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
Database Links
BindingDB Ligand 50049399
CAS Registry No. 7555-80-8 (source: Scifinder)
ChEMBL Ligand CHEMBL75169
PubChem CID 631105
Search Google for chemical match using the InChIKey KPJGABLCRGWDRB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KPJGABLCRGWDRB
Search UniChem for chemical match using the InChIKey KPJGABLCRGWDRB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KPJGABLCRGWDRB