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canSAR1859122
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NAMES
    SMILES
    O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)CCC2
    InChI
    InChI=1S/C20H16F3N3O2S/c21-20(22,23)17-10-15(16-5-2-8-28-16)25-19(26-17)29-11-18(27)24-14-7-6-12-3-1-4-13(12)9-14/h2,5-10H,1,3-4,11H2,(H,24,27)
    MOLECULAR FORMULA
    C20H16F3N3O2S
    CROSS REFERENCES
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    canSAR1859122

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.09
    AlogP 4.97
    HBond donors 1
    HBond acceptors 5
    Atoms 45
    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 canSAR1859122.