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Poly (ADP‐ribose) polymerase‐1 (PARP‐1) inhibitors have been successfully applied in the clinical treatment of various cancer. Side effects and drug resistant cases were reported, and more effective PARP‐1 inhibitors were required. However, studies on the AD site of PARP‐1 inhibitors are currently incomplete. Therefore, to synthesize more potential candidate PARP‐1 inhibitors and disclose some AD...