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
Comments
The ChEMBL entry linked to above represents an alternative tautomer.
Database Links
BindingDB Ligand 50052385
ChEMBL Ligand CHEMBL315984
GtoPdb PubChem SID 135650643
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