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canSAR834178
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NAMES
    SMILES
    COC(=O)/C=C(/c1ccccc1)C(C)N(C)CC(=O)OC.N[C@H](C(=O)O)[C@H](OCc1ccccc1)C(=O)O
    InChI
    InChI=1S/C16H21NO4.C11H13NO5/c1-12(17(2)11-16(19)21-4)14(10-15(18)20-3)13-8-6-5-7-9-13;12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h5-10,12H,11H2,1-4H3;1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/b14-10+;/t;8-,9-/m.0/s1
    MOLECULAR FORMULA
    C27H34N2O9
    CROSS REFERENCES
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    canSAR834178

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.23
    AlogP 1.80
    HBond donors 4
    HBond acceptors 11
    Atoms 72
    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 canSAR834178.