Discovery of triaromatic flexible agents bearing 1,2,3-Triazole with selective and potent anti-breast cancer activity and CDK9 inhibition supported by molecular dynamics

•Novel chromene-based analogues linked to 1,2,3-triazole fragment were synthesized.•The target components have been screened for anticancer activity and the SAR study was discussed.•Some compounds displayed the most potent CDK9 target inhibition.•Molecular modeling analyses focusing on the docking of 34 active compound into CDK9 binding pocket and full ADMET properties were studied.