ipsapirone

Ligand id: 42

Name: ipsapirone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 95.09
Molecular weight 401.15
XLogP 1.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
International Nonproprietary Names
INN number INN
5774 ipsapirone
Database Links
BindingDB Ligand 50005127
CAS Registry No. 95847-70-4 (source: Scifinder)
ChEMBL Ligand CHEMBL8412
PubChem CID 56971
Search Google for chemical match using the InChIKey TZJUVVIWVWFLCD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TZJUVVIWVWFLCD
Search PubMed clinical trials ipsapirone
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Search PubMed titles/abstracts ipsapirone
Search UniChem for chemical match using the InChIKey TZJUVVIWVWFLCD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TZJUVVIWVWFLCD
Wikipedia Ipsapirone