sergolexole

Ligand id: 211

Name: sergolexole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 43.7
Molecular weight 424.27
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
6330 sergolexole
Database Links
CAS Registry No. 108674-86-8 (source: Scifinder)
PubChem CID 60262
Search Google for chemical match using the InChIKey RJBJIKXTJIZONR-HSWWXKJFSA-N
Search Google for chemicals with the same backbone RJBJIKXTJIZONR
Search PubMed clinical trials sergolexole
Search PubMed titles sergolexole
Search PubMed titles/abstracts sergolexole
Search UniChem for chemical match using the InChIKey RJBJIKXTJIZONR-HSWWXKJFSA-N
Search UniChem for chemicals with the same backbone RJBJIKXTJIZONR
Comments
Please note there is some ambiguity in the literature and on other resources as to the exact stereochemistry of sergolexole. The structure shown here is drawn from the INN document. Sergolexole is represented on PubChem by CID 60262, which has specification of stereochemistry for fewer chiral centres that the INN document and our structure. The ChEMBL entry CHEMBL2110594 represents the same structure as PubChem.