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canSAR562724
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NAMES
    SMILES
    O=C(Cn1c[n+](CC(=O)c2ccccc2O)cn1)c1ccccc1O.[Br-]
    InChI
    InChI=1S/C18H15N3O4.BrH/c22-15-7-3-1-5-13(15)17(24)9-20-11-19-21(12-20)10-18(25)14-6-2-4-8-16(14)23;/h1-8,11-12H,9-10H2,(H-,22,23,24,25);1H
    MOLECULAR FORMULA
    C18H16BrN3O4
    CROSS REFERENCES
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    canSAR562724

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.03
    AlogP -1.65
    HBond donors 2
    HBond acceptors 7
    Atoms 42
    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 canSAR562724.