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Synthesis, crystal structure, DFT calculations, Hirshfeld surface analysis, energy frameworks, molecular dynamics and docking studies of novel isoxazolequinoxaline derivative (IZQ) as anti-cancer drug

Crystal StructureMedicinal ChemistryPharmaceutical ChemistryHeterocyclicNatural SciencesMedicineRational Drug DesignOrganic ChemistryAnti-cancer AgentChemistryHeterocycle ChemistryPharmacologyMolecular DynamicsHirshfeld Surface AnalysisDrug Discovery