DL-175   Click here for help

GtoPdb Ligand ID: 11213

Compound class: Synthetic organic
Comment: Orthosteric agonist of GPR84.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 36.17
Molecular weight 299.07
XLogP 5.01
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES [O-][n+]1cccc(c1)CCOc1ccc(c2c1cccc2)Cl
Isomeric SMILES [O-][n+]1cccc(c1)CCOc1ccc(c2c1cccc2)Cl
InChI InChI=1S/C17H14ClNO2/c18-16-7-8-17(15-6-2-1-5-14(15)16)21-11-9-13-4-3-10-19(20)12-13/h1-8,10,12H,9,11H2
InChI Key FXOVKEUUTXBOJZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(2-((4-chloronaphthalen-1-yl)oxy)ethyl)pyridine 1-oxide
Database Links Click here for help
GtoPdb PubChem SID 434122273
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