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Chemical structure of mGluR2 modulator 1

GC70637

mGluR2 modulator 1

Also known as 2-[4-[4-(trifluoromethoxy)phenoxy]butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one

mGluR2 modulator 1 (compound 95) is a potent and BBB-penetrated mGluR2 (metabotropic glutamate receptor-2) positive allosteric modulator, with an EC50 of 0·03 μM

ChemicalCAS2671063-84-4MW419.4FormulaC21H20F3N3O3
CAS number
2671063-84-4
Molecular weight
419.4
Formula
C21H20F3N3O3
InChIKey
QRCUMXUPIXTGPF-UHFFFAOYSA-N
Catalogue number
GC70637
Brand
GLPBIO
Computed properties PubChem CID 162662455 · XLogP 4.5 · TPSA 56.6 Ų · H-bond donors 0
XLogP
4.5
TPSA
56.6 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30

SMILES C1CN2C3=CC=CC=C3N=C2C(=O)N1CCCCOC4=CC=C(C=C4)OC(F)(F)F

Computed descriptors from PubChem (CID 162662455), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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