AKos Compounds catalogue

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    About This Filter

    Computed in your browser with RDKit; structures are not sent anywhere for this. Structures are standardised first (largest fragment, neutralised, common tautomers). Functional groups: Ertl's algorithm (J Cheminform 2017, 9:36) as in EFGs (J Chem Inf Model 2025, 65, 1061), N–H kept. Alerts: PAINS (J Med Chem 2010, 53, 2719) and Brenk (ChemMedChem 2008, 3, 435) as in RDKit.

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