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canSAR654117
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NAMES
    SMILES
    Cn1/c(=N/NC(=O)c2cccc(F)c2)sc2cc(OC(F)(F)F)ccc21
    InChI
    InChI=1S/C16H11F4N3O2S/c1-23-12-6-5-11(25-16(18,19)20)8-13(12)26-15(23)22-21-14(24)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,21,24)/b22-15-
    MOLECULAR FORMULA
    C16H11F4N3O2S
    CROSS REFERENCES
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    canSAR654117

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 385.05
    AlogP 3.52
    HBond donors 1
    HBond acceptors 5
    Atoms 37
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR654117.