6-nonylpyridine-2,4-diol   Click here for help

GtoPdb Ligand ID: 11212

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 2
Rotatable bonds 8
Topological polar surface area 53.09
Molecular weight 237.17
XLogP 4.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCc1cc(O)cc(=O)[nH]1
Isomeric SMILES CCCCCCCCCc1cc(O)cc(=O)[nH]1
InChI InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-10-13(16)11-14(17)15-12/h10-11H,2-9H2,1H3,(H2,15,16,17)
InChI Key JCINCSYDDSRQQC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-hydroxy-6-nonyl-1H-pyridin-2-one
Database Links Click here for help
GtoPdb PubChem SID 434122272
PubChem CID 127045422
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