canSAR2063352
FEATURES
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NAMES
    SMILES
    Cc1n(CC(=O)N2CCC3(C)c4ccccc4N(C)C23)cc[n+]1Cc1ccc(Br)cc1.[Br-]
    InChI
    InChI=1S/C25H28BrN4O.BrH/c1-18-28(16-19-8-10-20(26)11-9-19)14-15-29(18)17-23(31)30-13-12-25(2)21-6-4-5-7-22(21)27(3)24(25)30;/h4-11,14-15,24H,12-13,16-17H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C25H28Br2N4O
    CROSS REFERENCES
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    canSAR2063352
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight558.06
    AlogP0.86
    HBond donors0
    HBond acceptors5
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2063352.