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Chemical structure of GPR139 agonist-2

GC71095

GPR139 agonist-2

Also known as 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

GPR139 agonist-2 (compound 20a) is a potent GPR139 agonist with an EC50 of 24·7 nM

ChemicalCAS2983118-29-0MW380.32FormulaC17H15F3N4O3
CAS number
2983118-29-0
Molecular weight
380.32
Formula
C17H15F3N4O3
InChIKey
QCGDQGNBYQRDAB-NSHDSACASA-N
Catalogue number
GC71095
Brand
GLPBIO
Computed properties PubChem CID 169098808 · XLogP 2.8 · TPSA 75.9 Ų · H-bond donors 1
XLogP
2.8
TPSA
75.9 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27

SMILES C[C@@H](C1=CC=C(C=C1)OC(F)(F)F)NC(=O)CN2C(=O)N3C=CC=C3C=N2

Computed descriptors from PubChem (CID 169098808), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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