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Chemical structure of Bradanicline

GC64064

Bradanicline

Also known as N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide

Bradanicline is a highly selective α7 nicotinic acetylcholine receptor (nAChR) agonist (humanα7 nAChR: EC50=17 nM; Ki= 1·4 nM)

ChemicalCAS639489-84-2MW361.44FormulaC22H23N3O2
CAS number
639489-84-2
Molecular weight
361.44
Formula
C22H23N3O2
Solubility
DMSO ： 25 mg/mL (69·17 mM; ultrasonic and warming and heat to 60°C)
InChIKey
OXKRFEWMSWPKKV-GHTZIAJQSA-N
Catalogue number
GC64064
Brand
GLPBIO
Computed properties PubChem CID 25147644 · XLogP 3.5 · TPSA 58.4 Ų · H-bond donors 1
XLogP
3.5
TPSA
58.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27

SMILES C1CN2CCC1[C@H]([C@@H]2CC3=CN=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4

Computed descriptors from PubChem (CID 25147644), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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