methiothepin

Ligand id: 89

Name: methiothepin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 57.08
Molecular weight 356.14
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-methyl-4-(8-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
International Nonproprietary Names
INN number INN
3207 metitepine
Synonyms
methiothepine
Database Links
BindingDB Ligand 50122812
CAS Registry No. 20229-30-5 (source: Scifinder)
ChEBI CHEBI:64203
ChEMBL Ligand CHEMBL93240
PubChem CID 4106
Search Google for chemical match using the InChIKey RLJFTICUTYVZDG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RLJFTICUTYVZDG
Search PubMed clinical trials metitepine
Search PubMed titles metitepine
Search PubMed titles/abstracts metitepine
Search UniChem for chemical match using the InChIKey RLJFTICUTYVZDG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RLJFTICUTYVZDG
Wikipedia Metitepine
Comments
The structure of the INN-assigned compound metitepine is a racemic mixture of two enantiomers. The structure shown here does not specifiy stereochemistry and represents the mixture.