E5700

Ligand id: 3104

Name: E5700

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 69.06
Molecular weight 433.24
XLogP 3.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-3-(2-{2-benzyl-6-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol
Synonyms
E 5700 | E-5700
Database Links
CAS Registry No. 750597-23-0 (source: Scifinder)
PubChem CID 56947067
Search Google for chemical match using the InChIKey NDEOTZXSBKCQLS-GSLIJJQTSA-N
Search Google for chemicals with the same backbone NDEOTZXSBKCQLS
Search UniChem for chemical match using the InChIKey NDEOTZXSBKCQLS-GSLIJJQTSA-N
Search UniChem for chemicals with the same backbone NDEOTZXSBKCQLS
Comments
There is some ambiguity online as to the exact stereochemistry of E5700. The compound is also represented by CHEMBL258717 and CID 44450555.