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canSAR12053
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NAMES
    SMILES
    COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1cccc([N+](=O)[O-])c1)N2C
    InChI
    InChI=1S/C17H21N3O6/c1-19-11-6-7-13(19)15(16(21)25-2)14(9-11)26-17(22)18-10-4-3-5-12(8-10)20(23)24/h3-5,8,11,13-15H,6-7,9H2,1-2H3,(H,18,22)/t11-,13?,14+,15?/m1/s1
    MOLECULAR FORMULA
    C17H21N3O6
    CROSS REFERENCES
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    canSAR12053

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.14
    AlogP 2.17
    HBond donors 1
    HBond acceptors 9
    Atoms 47
    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 canSAR12053.