tiospirone   Click here for help

GtoPdb Ligand ID: 101

Synonyms: BMY-13859 | BMY-13859-1 | tiospyrone
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 84.99
Molecular weight 440.22
XLogP 4.58
No. Lipinski's rules broken 0
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Canonical SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2
Isomeric SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2
InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6035 tiospirone
Synonyms Click here for help
BMY-13859 | BMY-13859-1 | tiospyrone
Database Links Click here for help
Specialist databases
GPCRdb Ligand tiospirone
Other databases
BindingDB Ligand 50007692
CAS Registry No. 87691-91-6 (source: Scifinder)
ChEMBL Ligand CHEMBL35057
GtoPdb PubChem SID 135651264
PubChem CID 55752
Search Google for chemical match using the InChIKey ZFZPJDFBJFHYIV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZFZPJDFBJFHYIV
Search PubMed clinical trials tiospirone
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Search PubMed titles/abstracts tiospirone
UniChem Compound Search for chemical match using the InChIKey ZFZPJDFBJFHYIV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZFZPJDFBJFHYIV-UHFFFAOYSA-N
Wikipedia Tiospirone