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Chemical structure of GPR84 antagonist 3

GC73332

GPR84 antagonist 3

Also known as 4-[[4-[3-(1H-indol-3-ylmethyl)-5-phenyl-1,2,4-triazin-6-yl]phenyl]methyl]morpholine

GPR84 antagonist 3 (compound 42) is a potent GPR84 (G-protein-coupled receptor 84) antagonist

ChemicalCAS2815263-05-7MW461.56FormulaC29H27N5O
CAS number
2815263-05-7
Molecular weight
461.56
Formula
C29H27N5O
Solubility
DMSO : 100 mg/mL (216·66 mM; Need ultrasonic)
InChIKey
XGBKJLWLVCHTCR-UHFFFAOYSA-N
Catalogue number
GC73332
Brand
GLPBIO
Computed properties PubChem CID 164887573 · XLogP 4.1 · TPSA 66.9 Ų · H-bond donors 1
XLogP
4.1
TPSA
66.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35

SMILES C1COCCN1CC2=CC=C(C=C2)C3=C(N=C(N=N3)CC4=CNC5=CC=CC=C54)C6=CC=CC=C6

Computed descriptors from PubChem (CID 164887573), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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