[18F]MK-1312   Click here for help

GtoPdb Ligand ID: 6334

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 63.39
Molecular weight 351.15
XLogP 2.73
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCN1Cc2c(C1=O)ccc(c2)c1nnn(c1C)c1cccnc1F
Isomeric SMILES CCCN1Cc2c(C1=O)ccc(c2)c1nnn(c1C)c1cccnc1[18F]
InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3/i20-1
InChI Key NYDVTBHNZHBCKX-LRFGSCOBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-{1-[2-(18F)fluoropyridin-3-yl]-5-methyl-1H-1,2,3-triazol-4-yl}-2-propyl-2,3-dihydro-1H-isoindol-1-one
Database Links Click here for help
ChEMBL Ligand CHEMBL1645349
GtoPdb PubChem SID 178102952
PubChem CID 53316847
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