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canSAR778429
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NAMES
    SMILES
    CCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C(N)=O
    InChI
    InChI=1S/C18H21F3N4O2S/c1-3-10-9(2)28-17(14(10)16(22)27)23-13(26)8-25-12-7-5-4-6-11(12)15(24-25)18(19,20)21/h3-8H2,1-2H3,(H2,22,27)(H,23,26)
    MOLECULAR FORMULA
    C18H21F3N4O2S
    CROSS REFERENCES
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    canSAR778429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.13
    AlogP 3.45
    HBond donors 3
    HBond acceptors 6
    Atoms 49
    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 canSAR778429.