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canSAR1511982
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NAMES
    SMILES
    COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1
    InChI
    InChI=1S/C25H19N3O3S/c1-30-22-14-17(13-18(15-26)25-28-20-9-5-6-10-23(20)32-25)11-12-21(22)31-16-24(29)27-19-7-3-2-4-8-19/h2-14H,16H2,1H3,(H,27,29)/b18-13+
    MOLECULAR FORMULA
    C25H19N3O3S
    CROSS REFERENCES
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    canSAR1511982

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.11
    AlogP 5.39
    HBond donors 1
    HBond acceptors 6
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1511982.