gaboxadol   

GtoPdb Ligand ID: 4322

Synonyms: LU-02030 | MK-0928 | THIP
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 58.03
Molecular weight 140.06
XLogP -0.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=c1[nH]oc2c1CCNC2
Isomeric SMILES O=c1[nH]oc2c1CCNC2
InChI InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChI Key ZXRVKCBLGJOCEE-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2H,3H,4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridin-3-one
International Nonproprietary Names
INN number INN
5212 gaboxadol
Synonyms
LU-02030 | MK-0928 | THIP
Database Links
CAS Registry No. 64603-91-4 (source: Scifinder)
ChEMBL Ligand CHEMBL312443
GtoPdb PubChem SID 178101139
PubChem CID 3448
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Search UniChem for chemical match using the InChIKey ZXRVKCBLGJOCEE-UHFFFAOYSA-N
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Wikipedia Gaboxadol