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canSAR1833774
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NAMES
    SMILES
    O=[N+]([O-])c1cc(Br)c(O)c(/C=N/Nc2nnnn2-c2cccc3ccccc23)c1
    InChI
    InChI=1S/C18H12BrN7O3/c19-15-9-13(26(28)29)8-12(17(15)27)10-20-21-18-22-23-24-25(18)16-7-3-5-11-4-1-2-6-14(11)16/h1-10,27H,(H,21,22,24)/b20-10+
    MOLECULAR FORMULA
    C18H12BrN7O3
    CROSS REFERENCES
    1833774 logo

    canSAR1833774

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.02
    AlogP 3.64
    HBond donors 2
    HBond acceptors 10
    Atoms 41
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1833774.