compound 47 [PMID: 21295468]   Click here for help

GtoPdb Ligand ID: 6406

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 34.59
Molecular weight 256.12
XLogP 3.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCOc2c1ncc(c2)COc1ccccc1
Isomeric SMILES CN1CCOc2c1ncc(c2)COc1ccccc1
InChI InChI=1S/C15H16N2O2/c1-17-7-8-18-14-9-12(10-16-15(14)17)11-19-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChI Key XAGOQHLVLYAAMO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-methyl-7-(phenoxymethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazine
Database Links Click here for help
ChEMBL Ligand CHEMBL1681799
GtoPdb PubChem SID 178103022
PubChem CID 51003564
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