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Chemical structure of QP5038

GC73926

QP5038

Also known as 3-(6-fluoro-3-pyridinyl)-2-[4-(3-methylimidazol-4-yl)piperidin-1-yl]benzonitrile

QP5038 (compound 28) is an inhibitor of QPCTL with an IC50 value of 3·8 nM

ChemicalCAS3031429-88-3MW361.42FormulaC21H20FN5
CAS number
3031429-88-3
Molecular weight
361.42
Formula
C21H20FN5
Solubility
DMSO ： 100 mg/mL (276·69 mM; Need ultrasonic)
InChIKey
IUBVPNGSCDYBJU-UHFFFAOYSA-N
Catalogue number
GC73926
Brand
GLPBIO
Computed properties PubChem CID 169494342 · XLogP 3.1 · TPSA 57.7 Ų · H-bond donors 0
XLogP
3.1
TPSA
57.7 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27

SMILES CN1C=NC=C1C2CCN(CC2)C3=C(C=CC=C3C4=CN=C(C=C4)F)C#N

Computed descriptors from PubChem (CID 169494342), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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