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canSAR740826
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NAMES
    SMILES
    Br.Cc1cccc2n1cc(/C=C/c1ccc(/C=N/NC3=NCCN3)cc1)[n+]2C.[Br-]
    InChI
    InChI=1S/C21H23N6.2BrH/c1-16-4-3-5-20-26(2)19(15-27(16)20)11-10-17-6-8-18(9-7-17)14-24-25-21-22-12-13-23-21;;/h3-11,14-15H,12-13H2,1-2H3,(H2,22,23,25);2*1H/q+1;;/p-1/b11-10+,24-14+;;
    MOLECULAR FORMULA
    C21H24Br2N6
    CROSS REFERENCES
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    canSAR740826

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.04
    AlogP -0.29
    HBond donors 2
    HBond acceptors 6
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR740826.