BAYK 8644

Ligand id: 2511

Name: BAYK 8644

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 81.47
Molecular weight 356.1
XLogP 6.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Database Links
BindingDB Ligand 50318495
CAS Registry No. 71145-03-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1082832
GtoPdb PubChem SID 53801066
PubChem CID 2303
Search Google for chemical match using the InChIKey ZFLWDHHVRRZMEI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZFLWDHHVRRZMEI
Search UniChem for chemical match using the InChIKey ZFLWDHHVRRZMEI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZFLWDHHVRRZMEI
Wikipedia Bay_K8644