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canSAR1116986
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NAMES
    SMILES
    COc1ccc(Cc2cc(Cc3ccccc3)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1
    InChI
    InChI=1S/C27H24BrN3O3/c1-34-25-13-7-20(8-14-25)15-21-17-24(16-19-5-3-2-4-6-19)30-31(27(21)33)18-26(32)29-23-11-9-22(28)10-12-23/h2-14,17H,15-16,18H2,1H3,(H,29,32)
    MOLECULAR FORMULA
    C27H24BrN3O3
    CROSS REFERENCES
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    canSAR1116986

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.10
    AlogP 4.83
    HBond donors 1
    HBond acceptors 6
    Atoms 58
    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 canSAR1116986.