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canSAR1503046
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NAMES
    SMILES
    [N-]=[N+]=Nc1cc2c(cc1I)Oc1cc(Br)c(Br)cc1O2
    InChI
    InChI=1S/C12H4Br2IN3O2/c13-5-1-9-10(2-6(5)14)20-12-4-8(17-18-16)7(15)3-11(12)19-9/h1-4H
    MOLECULAR FORMULA
    C12H4Br2IN3O2
    CROSS REFERENCES
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    canSAR1503046

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 506.77
    AlogP 6.66
    HBond donors 0
    HBond acceptors 5
    Atoms 24
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503046.