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Chemical structure of BQR-695 (NVP-BQR695)

GC32163

BQR-695 (NVP-BQR695)

Also known as 2-[[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]amino]-N-methylacetamide

BQR-695 (NVP-BQR695) is a PI4KIIIβ inhibitor with IC50s of 80 and 3·5 nM for human PI4KIIIβ and Plasmodium variant of PI4KIIIβ, respectively

ChemicalCAS1513879-21-4MW352.39FormulaC19H20N4O3
CAS number
1513879-21-4
Molecular weight
352.39
Formula
C19H20N4O3
Solubility
DMSO : 100 mg/mL (283·78 mM)
InChIKey
LYPCULYCGFOIDA-UHFFFAOYSA-N
Catalogue number
GC32163
Brand
GLPBIO
Computed properties PubChem CID 112499905 · XLogP 2.4 · TPSA 85.4 Ų · H-bond donors 2
XLogP
2.4
TPSA
85.4 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

SMILES CNC(=O)CNC1=CN=C2C=CC(=CC2=N1)C3=CC(=C(C=C3)OC)OC

Computed descriptors from PubChem (CID 112499905), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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