muscimol   

GtoPdb Ligand ID: 4259

Synonyms: agarin | pantherine
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 72.02
Molecular weight 114.04
XLogP -1.1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NCc1cc(=O)[nH]o1
Isomeric SMILES NCc1cc(=O)[nH]o1
InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
InChI Key ZJQHPWUVQPJPQT-UHFFFAOYSA-N
Classification
Compound class Natural product or derivative
IUPAC Name
5-(aminomethyl)-2,3-dihydro-1,2-oxazol-3-one
Synonyms
agarin | pantherine
Database Links
CAS Registry No. 2763-96-4 (source: Scifinder)
ChEBI CHEBI:7035
ChEMBL Ligand CHEMBL273481
GtoPdb PubChem SID 178101076
PubChem CID 4266
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Search UniChem for chemical match using the InChIKey ZJQHPWUVQPJPQT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZJQHPWUVQPJPQT
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Tocris
Muscimol
Cat. No. 0289