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canSAR205138
FEATURES
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NAMES
    SMILES
    O=C([C@@H]1CCCN1C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1
    InChI
    InChI=1S/C28H33F3N4O7S2/c29-28(30,31)23-9-8-22(43(38,39)21-5-2-1-3-6-21)19-25(23)44(40,41)32-20-10-13-33(14-11-20)26(36)24-7-4-12-35(24)27(37)34-15-17-42-18-16-34/h1-3,5-6,8-9,19-20,24,32H,4,7,10-18H2/t24-/m0/s1
    MOLECULAR FORMULA
    C28H33F3N4O7S2
    CROSS REFERENCES
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    canSAR205138

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 658.17
    AlogP 2.72
    HBond donors 1
    HBond acceptors 11
    Atoms 77
    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 canSAR205138.