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Chemical structure of VRK-IN-1

GC63255

VRK-IN-1

Also known as 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol

VRK-IN-1 is a potent and selective inhibitor of vaccinia-related kinases 1 (VRK1), with an IC50 of 150 nM

ChemicalCAS2378855-09-3MW349.28FormulaC18H11F4NO2
CAS number
2378855-09-3
Molecular weight
349.28
Formula
C18H11F4NO2
Solubility
DMSO ： 100 mg/mL (286·30 mM; Need ultrasonic)
InChIKey
PMRGRXLXKYUDIH-UHFFFAOYSA-N
Catalogue number
GC63255
Brand
GLPBIO
Computed properties PubChem CID 155511407 · XLogP 4.2 · TPSA 53.4 Ų · H-bond donors 2
XLogP
4.2
TPSA
53.4 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
25

SMILES CC1=C(C=C(C=N1)C2=CC(=C(C(=C2)F)O)F)C3=CC(=C(C(=C3)F)O)F

Computed descriptors from PubChem (CID 155511407), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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