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Chemical structure of GPR55 agonist 3

GC75591

GPR55 agonist 3

Also known as N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[5-(2,2,2-trifluoroethyl)-3-pyridinyl]pyrazin-2-amine

GPR55 agonist 3 (Compound 26) is a GPR55 agonist (EC50: 0·239 nM, and 1·76 nM for hGPR55 and rGPR55)

ChemicalCAS3006105-44-5MW376.35FormulaC19H16F4N4
CAS number
3006105-44-5
Molecular weight
376.35
Formula
C19H16F4N4
Solubility
DMSO： 250 mg/mL (664·28 mM; Need ultrasonic)
InChIKey
ZCCOGNCJKNCXMI-GFCCVEGCSA-N
Catalogue number
GC75591
Brand
GLPBIO
Computed properties PubChem CID 169260355 · XLogP 4.1 · TPSA 50.7 Ų · H-bond donors 1
XLogP
4.1
TPSA
50.7 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
27

SMILES C[C@H](C1=CC=C(C=C1)F)NC2=NC=C(N=C2)C3=CN=CC(=C3)CC(F)(F)F

Computed descriptors from PubChem (CID 169260355), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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