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canSAR1085975
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccccc3[N+](=O)[O-])C[C@@H]1N2C
    InChI
    InChI=1S/C17H20N2O6/c1-10(20)24-16-8-11-7-12(9-15(16)18(11)2)25-17(21)13-5-3-4-6-14(13)19(22)23/h3-6,11-12,15-16H,7-9H2,1-2H3/t11-,12-,15-,16+/m0/s1
    MOLECULAR FORMULA
    C17H20N2O6
    CROSS REFERENCES
    1085975 logo

    canSAR1085975

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 348.13
    AlogP 1.92
    HBond donors 0
    HBond acceptors 8
    Atoms 45
    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 canSAR1085975.