SNAP5089

Ligand id: 498

Name: SNAP5089

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 113.81
Molecular weight 608.3
XLogP 11.38
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl (4R)-5-[3-[4,4-di(phenyl)piperidin-1-yl]propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Synonyms
(-)-SNAP-5089 | SNAP 5089
Database Links
BindingDB Ligand 50160149
CAS Registry No. 157066-76-7 (source: Scifinder)
PubChem CID 5311437
Search Google for chemical match using the InChIKey FIIXCJGBCCCOQQ-MGBGTMOVSA-N
Search Google for chemicals with the same backbone FIIXCJGBCCCOQQ
Search UniChem for chemical match using the InChIKey FIIXCJGBCCCOQQ-MGBGTMOVSA-N
Search UniChem for chemicals with the same backbone FIIXCJGBCCCOQQ