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canSAR2052660
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NAMES
    SMILES
    CN1c2ccccc2C2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccc(Br)cc4)c3)C12.[Br-]
    InChI
    InChI=1S/C25H26BrN4O2.BrH/c1-25-11-12-30(24(25)27(2)21-6-4-3-5-20(21)25)23(32)16-29-14-13-28(17-29)15-22(31)18-7-9-19(26)10-8-18;/h3-10,13-14,17,24H,11-12,15-16H2,1-2H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C25H26Br2N4O2
    CROSS REFERENCES
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    canSAR2052660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 572.04
    AlogP 0.39
    HBond donors 0
    HBond acceptors 6
    Atoms 59
    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 canSAR2052660.