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canSAR1100997
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NAMES
    SMILES
    Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1C#N
    InChI
    InChI=1S/C23H15ClF3N5O3S/c1-32-19(8-9-30-32)18-11-16(24)3-5-21(18)35-20-6-4-17(10-14(20)12-28)36(33,34)31-22-7-2-15(13-29-22)23(25,26)27/h2-11,13H,1H3,(H,29,31)
    MOLECULAR FORMULA
    C23H15ClF3N5O3S
    CROSS REFERENCES
    1100997 logo

    canSAR1100997

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.05
    AlogP 5.62
    HBond donors 1
    HBond acceptors 8
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1100997.