tiospirone

Ligand id: 101

Name: tiospirone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 84.99
Molecular weight 440.22
XLogP 4.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
8-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
International Nonproprietary Names
INN number INN
6035 tiospirone
Synonyms
BMY-13859 | BMY-13859-1 | tiospyrone
Database Links
BindingDB Ligand 50007692
CAS Registry No. 87691-91-6 (source: Scifinder)
ChEMBL Ligand CHEMBL35057
PubChem CID 55752
Search Google for chemical match using the InChIKey ZFZPJDFBJFHYIV-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey ZFZPJDFBJFHYIV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZFZPJDFBJFHYIV
Wikipedia Tiospirone