MRS1191

Ligand id: 470

Name: MRS1191

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 64.63
Molecular weight 477.19
XLogP 11.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
O3-ethyl O5-(phenylmethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
Synonyms
MRS-1191
Database Links
BindingDB Ligand 50054680
CAS Registry No. 185222-90-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1995014
PubChem CID 393594
Search Google for chemical match using the InChIKey SNVFDPHQAOXWJZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SNVFDPHQAOXWJZ
Search UniChem for chemical match using the InChIKey SNVFDPHQAOXWJZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SNVFDPHQAOXWJZ