MRS1505

Ligand id: 473

Name: MRS1505

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 433.15
XLogP 6.67
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
propyl 2-(3-chlorophenyl)-4,6-diethyl-5-propylsulfanylcarbonylpyridine-3-carboxylate
Synonyms
MRS-1505
Database Links
CAS Registry No. 212329-38-9 (source: Scifinder)
ChEMBL Ligand CHEMBL108705
PubChem CID 9802941
Search Google for chemical match using the InChIKey RPTCJTNYKDJGHU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RPTCJTNYKDJGHU
Search UniChem for chemical match using the InChIKey RPTCJTNYKDJGHU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RPTCJTNYKDJGHU