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canSAR561716
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NAMES
    SMILES
    NCCCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F
    InChI
    InChI=1S/C19H17F6N5OS/c20-18(21,22)12-5-3-4-11(8-12)14-10-32-17(29-14)30-15(19(23,24)25)13(9-28-30)16(31)27-7-2-1-6-26/h3-5,8-10H,1-2,6-7,26H2,(H,27,31)
    MOLECULAR FORMULA
    C19H17F6N5OS
    CROSS REFERENCES
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    canSAR561716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.11
    AlogP 4.50
    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 canSAR561716.