AZD6538   Click here for help

GtoPdb Ligand ID: 6440

Synonyms: AZD 6538 | AZD-6538
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 99.39
Molecular weight 291.06
XLogP 2.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1ccc(nc1)c1noc(n1)c1cc(F)cc(c1)C#N
Isomeric SMILES N#Cc1ccc(nc1)c1noc(n1)c1cc(F)cc(c1)C#N
InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
InChI Key PBVKGEMPZBKZOA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
Synonyms Click here for help
AZD 6538 | AZD-6538
Database Links Click here for help
ChEMBL Ligand CHEMBL2164552
GtoPdb PubChem SID 178103056
PubChem CID 9879103
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