PSB-16434   Click here for help

GtoPdb Ligand ID: 11210

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 3
Rotatable bonds 4
Topological polar surface area 77.75
Molecular weight 265.06
XLogP 2.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1
Isomeric SMILES Clc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1
InChI InChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
InChI Key JSUODDTVALGQAK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione
Database Links Click here for help
GtoPdb PubChem SID 434122270
PubChem CID 146025748
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