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
Comments
There is some ambiguity online as to the exact stereochemistry of E5700. The compound is also represented by CHEMBL258717 and CID 44450555.
Database Links
CAS Registry No. 750597-23-0 (source: Scifinder)
GtoPdb PubChem SID 135650216
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