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canSAR1125788
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NAMES
    SMILES
    COc1cccc(Cc2ccnn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1
    InChI
    InChI=1S/C20H18BrN3O3/c1-27-18-4-2-3-14(12-18)11-15-9-10-22-24(20(15)26)13-19(25)23-17-7-5-16(21)6-8-17/h2-10,12H,11,13H2,1H3,(H,23,25)
    MOLECULAR FORMULA
    C20H18BrN3O3
    CROSS REFERENCES
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    canSAR1125788

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.05
    AlogP 3.24
    HBond donors 1
    HBond acceptors 6
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1125788.