N-methyl-exo-THPO   Click here for help

GtoPdb Ligand ID: 5419

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 58.29
Molecular weight 168.09
XLogP 0.81
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC1CCCc2c1c(O)no2
Isomeric SMILES CNC1CCCc2c1c(O)no2
InChI InChI=1S/C8H12N2O2/c1-9-5-3-2-4-6-7(5)8(11)10-12-6/h5,9H,2-4H2,1H3,(H,10,11)
InChI Key UJAXSQRTPSSJPO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
Database Links Click here for help
ChEMBL Ligand CHEMBL149914
GtoPdb PubChem SID 178102072
PubChem CID 9989616
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