MRS1097

Ligand id: 467

Name: MRS1097

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 64.63
Molecular weight 417.19
XLogP 10.02
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,5-diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Synonyms
MRS-1097
Database Links
BindingDB Ligand 50052385
ChEMBL Ligand CHEMBL315984
PubChem CID 9953766
Search Google for chemical match using the InChIKey XCXCNPNUEPMYRS-WUKNDPDISA-N
Search Google for chemicals with the same backbone XCXCNPNUEPMYRS
Search UniChem for chemical match using the InChIKey XCXCNPNUEPMYRS-WUKNDPDISA-N
Search UniChem for chemicals with the same backbone XCXCNPNUEPMYRS
Comments
The ChEMBL entry linked to above represents an alternative tautomer.