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canSAR1591758
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NAMES
    SMILES
    COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc1-c1ccc(F)cc1
    InChI
    InChI=1S/C23H21FN2O4/c1-14-5-3-4-6-18(14)20(12-21(27)28)26-22(29)16-11-19(23(30-2)25-13-16)15-7-9-17(24)10-8-15/h3-11,13,20H,12H2,1-2H3,(H,26,29)(H,27,28)/t20-/m0/s1
    MOLECULAR FORMULA
    C23H21FN2O4
    CROSS REFERENCES
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    canSAR1591758

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.15
    AlogP 4.15
    HBond donors 2
    HBond acceptors 6
    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 canSAR1591758.