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canSAR2001188
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NAMES
    SMILES
    COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NCc3ccccc3)n2)cc1
    InChI
    InChI=1S/C22H20F3N3O2S/c1-30-17-9-7-16(8-10-17)18-13-19(22(23,24)25)28-21(27-18)31-12-11-20(29)26-14-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,26,29)
    MOLECULAR FORMULA
    C22H20F3N3O2S
    CROSS REFERENCES
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    canSAR2001188

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.12
    AlogP 4.97
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    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 canSAR2001188.