canSAR741820
FEATURES
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NAMES
    SMILES
    Br.C[n+]1c(-c2ccc(/C=C/C=N/NC3=NCCCN3)cc2)cn2ccccc21.[Br-]
    InChI
    InChI=1S/C21H23N6.2BrH/c1-26-19(16-27-15-3-2-7-20(26)27)18-10-8-17(9-11-18)6-4-14-24-25-21-22-12-5-13-23-21;;/h2-4,6-11,14-16H,5,12-13H2,1H3,(H2,22,23,25);2*1H/q+1;;/p-1/b6-4+,24-14+;;
    MOLECULAR FORMULA
    C21H24Br2N6
    CROSS REFERENCES
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    canSAR741820
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight518.04
    AlogP-0.05
    HBond donors2
    HBond acceptors6
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR741820.