Synthesis, crystal structure, DFT, molecular docking and antitumor activity of 4-(2-chlorobenzyl)-1-(5-fluoro-2-hydroxy-3-((4-methylpiperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Zhi-xu Zhou, Qingmei Wu, Zhuyan Huang, De-Hou Yu, Hongguang Lü
Topics & Concepts
ChemistryCarbon-13 NMRCrystal structureStereochemistryAcetonitrileProton NMRDocking (animal)CrystallographyChemical shiftMolecular orbitalMoleculeSingle crystalHOMO/LUMOActive siteMolecular modelComputational chemistryPhysical chemistryCatalysisOrganic chemistryNursingMedicineSynthesis and biological activityQuinazolinone synthesis and applicationsSynthesis and Characterization of Heterocyclic Compounds