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Chemical structure of PRL-3 Inhibitor 2

GC69736

PRL-3 Inhibitor 2

Also known as 4-[2-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoic acid

PRL-3 Inhibitor 2 (compound 2) is an effective inhibitor of PRL-3, with an IC50 value of 28·1 μM

ChemicalCAS577962-95-9MW297.27FormulaC15H11N3O4
CAS number
577962-95-9
Molecular weight
297.27
Formula
C15H11N3O4
InChIKey
WMOKBKUDIRNAKD-XYOKQWHBSA-N
Catalogue number
GC69736
Brand
GLPBIO
Computed properties PubChem CID 897520 · XLogP 1 · TPSA 100 Ų · H-bond donors 3
XLogP
1
TPSA
100 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

SMILES C1=CN(C(=C1)/C=C/2\C(=O)NC(=O)N2)C3=CC=C(C=C3)C(=O)O

Computed descriptors from PubChem (CID 897520), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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