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Chemical structure of AGN 194078

GC33315

AGN 194078

Also known as 2,6-difluoro-4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid

AGN 194078 is a selective RARα agonist with a Kd and EC50 of 3 and 112 nM, respectively

ChemicalCAS321995-62-4MW403.42FormulaC22H23F2NO4
CAS number
321995-62-4
Molecular weight
403.42
Formula
C22H23F2NO4
Solubility
Soluble in DMSO
InChIKey
BCKLKOYFMACAMZ-UHFFFAOYSA-N
Catalogue number
GC33315
Brand
GLPBIO
Computed properties PubChem CID 9865875 · XLogP 5.8 · TPSA 86.6 Ų · H-bond donors 3
XLogP
5.8
TPSA
86.6 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29

SMILES CC1(CCC(C2=C1C=C(C(=C2)O)C(=O)NC3=CC(=C(C(=C3)F)C(=O)O)F)(C)C)C

Computed descriptors from PubChem (CID 9865875), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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