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canSAR1988082
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NAMES
    SMILES
    O=C(Nc1cccc(C(F)(F)F)c1)C(Sc1cccc[n+]1[O-])c1ccccc1
    InChI
    InChI=1S/C20H15F3N2O2S/c21-20(22,23)15-9-6-10-16(13-15)24-19(26)18(14-7-2-1-3-8-14)28-17-11-4-5-12-25(17)27/h1-13,18H,(H,24,26)
    MOLECULAR FORMULA
    C20H15F3N2O2S
    CROSS REFERENCES
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    canSAR1988082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.08
    AlogP 4.81
    HBond donors 1
    HBond acceptors 4
    Atoms 43
    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 canSAR1988082.