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canSAR779240
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NAMES
    SMILES
    O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccccc1
    InChI
    InChI=1S/C23H22BrN3O2/c24-21-11-5-4-10-19(21)20-12-14-26(16-17-7-6-13-25-15-17)22(23(20)27(28)29)18-8-2-1-3-9-18/h1-11,13,15,20,22-23H,12,14,16H2/t20-,22+,23-/m0/s1
    MOLECULAR FORMULA
    C23H22BrN3O2
    CROSS REFERENCES
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    canSAR779240

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.09
    AlogP 5.22
    HBond donors 0
    HBond acceptors 5
    Atoms 51
    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 canSAR779240.