ecopipam   Click here for help

GtoPdb Ligand ID: 3304

Synonyms: SCH 39166 | SCH-39166 | SCH39166
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 23.47
Molecular weight 313.12
XLogP 3.72
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCc2c(C3C1CCc1c3cccc1)cc(c(c2)Cl)O
Isomeric SMILES CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O
InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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
7797 ecopipam
Synonyms Click here for help
SCH 39166 | SCH-39166 | SCH39166
Database Links Click here for help
Specialist databases
GPCRdb Ligand ecopipam
Other databases
CAS Registry No. 190133-94-9 (source: Scifinder)
ChEMBL Ligand CHEMBL298406
GtoPdb PubChem SID 178100341
PubChem CID 107930
Search Google for chemical match using the InChIKey DMJWENQHWZZWDF-PKOBYXMFSA-N
Search Google for chemicals with the same backbone DMJWENQHWZZWDF
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UniChem Compound Search for chemical match using the InChIKey DMJWENQHWZZWDF-PKOBYXMFSA-N
UniChem Connectivity Search for chemical match using the InChIKey DMJWENQHWZZWDF-PKOBYXMFSA-N
Wikipedia Ecopipam