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
SMILES / InChI / InChIKey
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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
InChI Key DMJWENQHWZZWDF-PKOBYXMFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(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 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
CAS Registry No. 190133-94-9 (source: Scifinder)
ChEMBL Ligand CHEMBL298406
GtoPdb PubChem SID 178100341
PubChem CID 107930
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Wikipedia Ecopipam