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canSAR780446
FEATURES
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NAMES
    SMILES
    O=C(O)CC[C@H](NC(=O)N[C@@H](C[C@@H](Cc1ccccc1)C(=O)O)C(=O)O)C(=O)O
    InChI
    InChI=1S/C18H22N2O9/c21-14(22)7-6-12(16(25)26)19-18(29)20-13(17(27)28)9-11(15(23)24)8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,19,20,29)/t11-,12+,13+/m1/s1
    MOLECULAR FORMULA
    C18H22N2O9
    CROSS REFERENCES
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    canSAR780446

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.13
    AlogP 0.39
    HBond donors 6
    HBond acceptors 11
    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 canSAR780446.