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Chemical structure of AHR antagonist 5 free base

GC64208

AHR antagonist 5 free base

Also known as (3R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

AHR antagonist 5 free base is a selective and orally active aryl hydrocarbon receptor (AHR) inhibitor· AHR antagonist 5 free base effectively blocks AHR from translocating from the cytoplasm to the nucleus· AHR antagonist 5 free base is highly selective for AHR over other receptors, transporters, and kinases

ChemicalCAS2247950-42-9MW441.5FormulaC25H24FN7
CAS number
2247950-42-9
Molecular weight
441.5
Formula
C25H24FN7
InChIKey
QPFPBVPZIIDXGT-QGZVFWFLSA-N
Catalogue number
GC64208
Brand
GLPBIO
Computed properties PubChem CID 140944699 · XLogP 4.8 · TPSA 83.8 Ų · H-bond donors 2
XLogP
4.8
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33

SMILES CC(C)C1=C2N=C(N=C(N2N=C1)N[C@@H]3CCC4=C(C3)C5=CC=CC=C5N4)C6=CC(=CN=C6)F

Computed descriptors from PubChem (CID 140944699), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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