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Chemical structure of GPR84 antagonist 1

GC64229

GPR84 antagonist 1

Also known as 3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-1H-indole

GPR84 antagonist 1 is a high affinity and highly selective competitive antagonist of human GPR84

ChemicalCAS2762180-28-7MW422.48FormulaC26H22N4O2
CAS number
2762180-28-7
Molecular weight
422.48
Formula
C26H22N4O2
Solubility
DMSO : 50 mg/mL (118·35 mM; Need ultrasonic)
InChIKey
LMEQXULLLIXQFQ-UHFFFAOYSA-N
Catalogue number
GC64229
Brand
GLPBIO
Computed properties PubChem CID 163321284 · XLogP 4.5 · TPSA 72.9 Ų · H-bond donors 1
XLogP
4.5
TPSA
72.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32

SMILES COC1=CC=C(C=C1)C2=C(N=NC(=N2)CC3=CNC4=CC=CC=C43)C5=CC=C(C=C5)OC

Computed descriptors from PubChem (CID 163321284), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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