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Chemical structure of VU 0285683

GC16643

VU 0285683

Also known as 3-fluoro-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile

negative allosteric modulator of mGlu5 receptors

ChemicalCAS327056-22-4MW266.23FormulaC14H7FN4O
CAS number
327056-22-4
Molecular weight
266.23
Formula
C14H7FN4O
Solubility
＜6·66mg/ml in ethanol; ＜13·31mg/ml in DMSO
InChIKey
GELAFISMURFRCA-UHFFFAOYSA-N
Catalogue number
GC16643
Brand
GLPBIO
Computed properties PubChem CID 9816778 · XLogP 1.9 · TPSA 75.6 Ų · H-bond donors 0
XLogP
1.9
TPSA
75.6 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20

SMILES C1=CC=NC(=C1)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F

Computed descriptors from PubChem (CID 9816778), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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