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canSAR1154804
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NAMES
    SMILES
    C[S+]([O-])c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1NC(OCCF)C(Cl)(Cl)Cl
    InChI
    InChI=1S/C16H11Cl5F4N4O2S/c1-32(30)12-10(6-26)28-29(13(12)27-14(15(19,20)21)31-3-2-22)11-8(17)4-7(5-9(11)18)16(23,24)25/h4-5,14,27H,2-3H2,1H3
    MOLECULAR FORMULA
    C16H11Cl5F4N4O2S
    CROSS REFERENCES
    1154804 logo

    canSAR1154804

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 573.90
    AlogP 5.90
    HBond donors 1
    HBond acceptors 6
    Atoms 43
    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 canSAR1154804.