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canSAR1111724
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NAMES
    SMILES
    CC(C)c1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1
    InChI
    InChI=1S/C18H18BrN3OS/c1-12(2)15-11-24-18(21-15)22-17-16(8-14(19)9-20-17)23-10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,21,22)
    MOLECULAR FORMULA
    C18H18BrN3OS
    CROSS REFERENCES
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    canSAR1111724

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.04
    AlogP 5.75
    HBond donors 1
    HBond acceptors 4
    Atoms 42
    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 canSAR1111724.