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Chemical structure of VX-809

GC15455

VX-809

Also known as 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid

VX-809 (VX-809; VRT 826809) is a CFTR modulator that corrects the folding and trafficking of CFTR protein

ChemicalCAS936727-05-8MW452.41FormulaC24H18F2N2O5
CAS number
936727-05-8
Molecular weight
452.41
Formula
C24H18F2N2O5
Solubility
≥ 22·6mg/mL in DMSO
InChIKey
UFSKUSARDNFIRC-UHFFFAOYSA-N
Catalogue number
GC15455
Brand
GLPBIO
Computed properties PubChem CID 16678941 · XLogP 4.4 · TPSA 97.8 Ų · H-bond donors 2
XLogP
4.4
TPSA
97.8 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

SMILES CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O

Computed descriptors from PubChem (CID 16678941), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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