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canSAR12074
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NAMES
    SMILES
    O=C(NC[C@@H]1CCC[C@H]1C(O)CCc1ccccc1)c1ccc(OC(F)(F)F)cc1
    InChI
    InChI=1S/C23H26F3NO3/c24-23(25,26)30-19-12-10-17(11-13-19)22(29)27-15-18-7-4-8-20(18)21(28)14-9-16-5-2-1-3-6-16/h1-3,5-6,10-13,18,20-21,28H,4,7-9,14-15H2,(H,27,29)/t18-,20+,21?/m0/s1
    MOLECULAR FORMULA
    C23H26F3NO3
    CROSS REFERENCES
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    canSAR12074

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.19
    AlogP 4.72
    HBond donors 2
    HBond acceptors 4
    Atoms 56
    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 canSAR12074.