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Chemical structure of PIP4K-IN-a131

GC60290

PIP4K-IN-a131

Also known as (Z)-2-(1H-indol-3-yl)-3-isoquinolin-5-ylprop-2-enenitrile

PIP4K-IN-a131 is PIP4K lipid kinases inhibitor, with IC50s of 1·9??M and 0·6??M for purified PIP4K2A and PIP4Ks, respectively· PIP4K-IN-a131 exhibits cancer-selective lethality via dual blockade of the lipid kinase PIP4Ks and mitotic pathways

ChemicalCAS2055405-95-1MW295.34FormulaC20H13N3
CAS number
2055405-95-1
Molecular weight
295.34
Formula
C20H13N3
InChIKey
GWWKEWLUVHLNEX-MHWRWJLKSA-N
Catalogue number
GC60290
Brand
GLPBIO
Computed properties PubChem CID 124124841 · XLogP 4 · TPSA 52.5 Ų · H-bond donors 1
XLogP
4
TPSA
52.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
23

SMILES C1=CC=C2C(=C1)C(=CN2)/C(=C/C3=CC=CC4=C3C=CN=C4)/C#N

Computed descriptors from PubChem (CID 124124841), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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