MRS1523

Ligand id: 474

Name: MRS1523

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 81.56
Molecular weight 399.19
XLogP 7.41
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate
Synonyms
MRS 1523  | MRS-1523
Database Links
BindingDB Ligand 50074225
CAS Registry No. 212329-37-8 (source: Scifinder)
ChEMBL Ligand CHEMBL111545
PubChem CID 3661570
Search Google for chemical match using the InChIKey UUSHFEVEROROSP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UUSHFEVEROROSP
Search UniChem for chemical match using the InChIKey UUSHFEVEROROSP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UUSHFEVEROROSP