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canSAR1716413
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NAMES
    SMILES
    COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1cccc(Cl)c1
    InChI
    InChI=1S/C23H21ClN2O4/c1-14-6-3-4-9-17(14)19(13-21(27)28)26-23(29)18-10-11-20(30-2)22(25-18)15-7-5-8-16(24)12-15/h3-12,19H,13H2,1-2H3,(H,26,29)(H,27,28)/t19-/m0/s1
    MOLECULAR FORMULA
    C23H21ClN2O4
    CROSS REFERENCES
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    canSAR1716413

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.12
    AlogP 4.66
    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 canSAR1716413.