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canSAR2083345
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NAMES
    SMILES
    O=C(/C=C/c1ccccc1)N[C@H](COC(=O)c1ccccc1)C(=O)NC1CCCCC1
    InChI
    InChI=1S/C25H28N2O4/c28-23(17-16-19-10-4-1-5-11-19)27-22(24(29)26-21-14-8-3-9-15-21)18-31-25(30)20-12-6-2-7-13-20/h1-2,4-7,10-13,16-17,21-22H,3,8-9,14-15,18H2,(H,26,29)(H,27,28)/b17-16+/t22-/m1/s1
    MOLECULAR FORMULA
    C25H28N2O4
    CROSS REFERENCES
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    canSAR2083345

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.20
    AlogP 3.49
    HBond donors 2
    HBond acceptors 6
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2083345.