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canSAR204924
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NAMES
    SMILES
    Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2Br)cc1
    InChI
    InChI=1S/C18H16BrN3OS/c1-13-6-8-14(9-7-13)22-11-10-20-18(22)24-12-17(23)21-16-5-3-2-4-15(16)19/h2-11H,12H2,1H3,(H,21,23)
    MOLECULAR FORMULA
    C18H16BrN3OS
    CROSS REFERENCES
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    canSAR204924

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.02
    AlogP 4.67
    HBond donors 1
    HBond acceptors 4
    Atoms 40
    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 canSAR204924.