THPO   

GtoPdb Ligand ID: 4727

Synonyms: 4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridin-3-ol
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]oc2c1CNCC2
Isomeric SMILES O=c1[nH]oc2c1CNCC2
InChI InChI=1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChI Key SXXLKZCNJHJYFL-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2H,3H,4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-3-one
Synonyms
4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridin-3-ol
Database Links
CAS Registry No. 53602-00-9 (source: Scifinder)
ChEMBL Ligand CHEMBL150830
GtoPdb PubChem SID 178101438
PubChem CID 1695
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