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canSAR1769707
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NAMES
    SMILES
    C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
    InChI
    InChI=1S/C28H31F3N4O5S/c1-18-15-35(19(2)17-36)41(38,39)26-9-4-21(20-10-12-32-13-11-20)14-24(26)40-25(18)16-34(3)27(37)33-23-7-5-22(6-8-23)28(29,30)31/h4-14,18-19,25,36H,15-17H2,1-3H3,(H,33,37)/t18-,19+,25-/m0/s1
    MOLECULAR FORMULA
    C28H31F3N4O5S
    CROSS REFERENCES
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    canSAR1769707

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 592.20
    AlogP 4.70
    HBond donors 2
    HBond acceptors 9
    Atoms 72
    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 canSAR1769707.