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canSAR9330
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NAMES
    SMILES
    CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)C1c1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-7-6-8-15(9-14)22(25)26/h6-9,11,18,23H,10H2,1-5H3/b19-16+
    MOLECULAR FORMULA
    C20H24N2O6
    CROSS REFERENCES
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    canSAR9330

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.16
    AlogP 4.04
    HBond donors 1
    HBond acceptors 8
    Atoms 52
    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 canSAR9330.