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canSAR115740
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NAMES
    SMILES
    CN(C)CCSC(=S)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
    InChI
    InChI=1S/C22H27F3N2OS2/c1-26(2)15-16-30-21(29)27(3)14-13-20(17-7-5-4-6-8-17)28-19-11-9-18(10-12-19)22(23,24)25/h4-12,20H,13-16H2,1-3H3
    MOLECULAR FORMULA
    C22H27F3N2OS2
    CROSS REFERENCES
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    canSAR115740

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.15
    AlogP 5.73
    HBond donors 0
    HBond acceptors 3
    Atoms 57
    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 canSAR115740.