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canSAR196671
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NAMES
    SMILES
    Cn1c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs/c1=N/c1ccc(Br)cc1
    InChI
    InChI=1S/C24H20BrN3O2S/c1-28-20(16-31-24(28)27-19-9-7-17(25)8-10-19)15-23(29)26-18-11-13-22(14-12-18)30-21-5-3-2-4-6-21/h2-14,16H,15H2,1H3,(H,26,29)/b27-24+
    MOLECULAR FORMULA
    C24H20BrN3O2S
    CROSS REFERENCES
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    canSAR196671

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.05
    AlogP 6.05
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    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 canSAR196671.