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canSAR1828719
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NAMES
    SMILES
    CC(C)COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OC(C)C)cc1
    InChI
    InChI=1S/C23H26N2O6/c1-15(2)14-30-20-10-8-18(9-11-20)22(26)24-21(23(27)31-16(3)4)13-17-6-5-7-19(12-17)25(28)29/h5-13,15-16H,14H2,1-4H3,(H,24,26)/b21-13-
    MOLECULAR FORMULA
    C23H26N2O6
    CROSS REFERENCES
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    canSAR1828719

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.18
    AlogP 4.35
    HBond donors 1
    HBond acceptors 8
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1828719.