oxotremorine-M   Click here for help

GtoPdb Ligand ID: 303

Compound class: Synthetic organic
Comment: Oxotremorine-M is an orthosteric agonist of muscarinic acetylcholine receptors.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 20.31
Molecular weight 195.15
XLogP -0.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1CCCN1CC#CC[N+](C)(C)C
Isomeric SMILES O=C1CCCN1CC#CC[N+](C)(C)C
InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
InChI Key CANZROMYQDHYHR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium
Database Links Click here for help
BindingDB Ligand 50023136
CAS Registry No. 63939-65-1 (source: ChEBI)
ChEBI CHEBI:38322
ChEMBL Ligand CHEMBL44674
GtoPdb PubChem SID 135650783
PubChem CID 4629
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