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canSAR1827935
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NAMES
    SMILES
    COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1CSc1ccccn1
    InChI
    InChI=1S/C21H18BrN3O2S/c1-27-19-9-8-15(11-17(19)14-28-20-7-2-3-10-23-20)13-24-25-21(26)16-5-4-6-18(22)12-16/h2-13H,14H2,1H3,(H,25,26)/b24-13+
    MOLECULAR FORMULA
    C21H18BrN3O2S
    CROSS REFERENCES
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    canSAR1827935

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.03
    AlogP 4.91
    HBond donors 1
    HBond acceptors 5
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1827935.