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canSAR675047
FEATURES
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NAMES
    SMILES
    O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(S(=O)(=O)c3ccccc3)CC2)C1
    InChI
    InChI=1S/C27H33F3N4O4S/c28-27(29,30)22-6-4-5-21(17-22)26(36)31-18-25(35)32-23-12-14-33(19-23)13-9-20-10-15-34(16-11-20)39(37,38)24-7-2-1-3-8-24/h1-8,17,20,23H,9-16,18-19H2,(H,31,36)(H,32,35)/t23-/m1/s1
    MOLECULAR FORMULA
    C27H33F3N4O4S
    CROSS REFERENCES
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    canSAR675047

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 566.22
    AlogP 3.12
    HBond donors 2
    HBond acceptors 8
    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 canSAR675047.