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canSAR650005
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NAMES
    SMILES
    CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)cc2C(F)(F)F)cc1
    InChI
    InChI=1S/C22H27F3N2O2S2/c1-21(2,3)17-9-5-15(6-10-17)7-12-20(30)26-14-16-8-11-18(27-31(4,28)29)13-19(16)22(23,24)25/h5-6,8-11,13,27H,7,12,14H2,1-4H3,(H,26,30)
    MOLECULAR FORMULA
    C22H27F3N2O2S2
    CROSS REFERENCES
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    canSAR650005

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.15
    AlogP 5.42
    HBond donors 2
    HBond acceptors 4
    Atoms 58
    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 canSAR650005.