ecopipam

Ligand Id: 3304
Ligand name ecopipam

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 23.47
Molecular weight 313.12
XLogP 5.1
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol
International Nonproprietary Names
INN number INN
7797 ecopipam
Synonyms
(-)-trans-6,7,7a,8,9,13b-hexahydro-3-chloro-2-hydroxy-N-ethyl-5H-benzo[d]naphtho-(2,b)azepine
Sch 39166
SCH-39166
SCH39166
Database Links
CAS Registry No. 190133-94-9 (source: Scifinder)
ChEMBL Ligand CHEMBL298406
PubChem CID 107930
Search Google for chemical match using the InChIKey DMJWENQHWZZWDF-PKOBYXMFSA-N
Search Google for chemicals with the same backbone DMJWENQHWZZWDF
Search PubMed clinical trials ecopipam
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Search PubMed titles/abstracts ecopipam
Wikipedia Ecopipam
ZINC ZINC00003897