ZQ-16   Click here for help

GtoPdb Ligand ID: 11211

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 1
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 91.28
Molecular weight 228.09
XLogP 3.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCSc1nc(O)cc(=O)[nH]1
Isomeric SMILES CCCCCCSc1nc(O)cc(=O)[nH]1
InChI InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-15-10-11-8(13)7-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChI Key UYXOAKRMLQKLQX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-hexylsulfanyl-6-hydroxy-3H-pyrimidin-4-one
Database Links Click here for help
GtoPdb PubChem SID 434122271
PubChem CID 1912564
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