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canSAR1720727
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NAMES
    SMILES
    CSc1nc2n(n1)C(c1cc(Br)ccc1F)C(C(=O)N(C)C)=C(C)N2
    InChI
    InChI=1S/C16H17BrFN5OS/c1-8-12(14(24)22(2)3)13(10-7-9(17)5-6-11(10)18)23-15(19-8)20-16(21-23)25-4/h5-7,13H,1-4H3,(H,19,20,21)
    MOLECULAR FORMULA
    C16H17BrFN5OS
    CROSS REFERENCES
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    canSAR1720727

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.03
    AlogP 3.28
    HBond donors 1
    HBond acceptors 6
    Atoms 42
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1720727.