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canSAR1155632
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NAMES
    SMILES
    COc1ccc(CSc2nc(C(C#N)c3cccc(Br)c3)c(C)c(=O)[nH]2)cc1
    InChI
    InChI=1S/C21H18BrN3O2S/c1-13-19(18(11-23)15-4-3-5-16(22)10-15)24-21(25-20(13)26)28-12-14-6-8-17(27-2)9-7-14/h3-10,18H,12H2,1-2H3,(H,24,25,26)
    MOLECULAR FORMULA
    C21H18BrN3O2S
    CROSS REFERENCES
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    canSAR1155632

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.03
    AlogP 4.80
    HBond donors 1
    HBond acceptors 5
    Atoms 46
    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 canSAR1155632.