zalospirone

Ligand id: 58

Name: zalospirone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 69.64
Molecular weight 419.23
XLogP 1.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,2R,6S,7S,8S,11R)-4-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-azatetracyclo[5.4.2.0^{2,6}.0^{8,11}]trideca-9,12-diene-3,5-dione
International Nonproprietary Names
INN number INN
6754 zalospirone
Synonyms
WY-47,846
Database Links
CAS Registry No. 114298-18-9 (source: Scifinder)
PubChem CID 163925
Search Google for chemical match using the InChIKey AERLHOTUXIJQFV-RCPZPFRWSA-N
Search Google for chemicals with the same backbone AERLHOTUXIJQFV
Search PubMed clinical trials zalospirone
Search PubMed titles zalospirone
Search PubMed titles/abstracts zalospirone
Search UniChem for chemical match using the InChIKey AERLHOTUXIJQFV-RCPZPFRWSA-N
Search UniChem for chemicals with the same backbone AERLHOTUXIJQFV
Wikipedia Zalospirone