exo-THPO   Click here for help

GtoPdb Ligand ID: 5418

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 72.28
Molecular weight 154.07
XLogP 0.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC1CCCc2c1c(O)no2
Isomeric SMILES NC1CCCc2c1c(O)no2
InChI InChI=1S/C7H10N2O2/c8-4-2-1-3-5-6(4)7(10)9-11-5/h4H,1-3,8H2,(H,9,10)
InChI Key OAJLTKZYCPGQMS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-amino-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
Database Links Click here for help
ChEMBL Ligand CHEMBL150865
GtoPdb PubChem SID 178102071
PubChem CID 9989441
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Search UniChem for chemicals with the same backbone OAJLTKZYCPGQMS