tandospirone

Ligand id: 55

Name: tandospirone

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 383.23
XLogP 1.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,2S,6R,7S)-4-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-azatricyclo[5.2.1.0^{2,6}]decane-3,5-dione
International Nonproprietary Names
INN number INN
6332 tandospirone
Database Links
BindingDB Ligand 50099385
CAS Registry No. 87760-53-0 (source: Scifinder)
ChEMBL Ligand CHEMBL274047
PubChem CID 91273
Search Google for chemical match using the InChIKey CEIJFEGBUDEYSX-FZDBZEDMSA-N
Search Google for chemicals with the same backbone CEIJFEGBUDEYSX
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Search UniChem for chemical match using the InChIKey CEIJFEGBUDEYSX-FZDBZEDMSA-N
Search UniChem for chemicals with the same backbone CEIJFEGBUDEYSX
Wikipedia Tandospirone