canSAR586594
FEATURES
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NAMES
    SMILES
    O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(C(=O)c2ccc(OCCN3CCOCC3)cc2)C/C1=C\c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C32H30N4O8/c37-31-26(19-23-1-7-28(8-2-23)35(39)40)21-34(22-27(31)20-24-3-9-29(10-4-24)36(41)42)32(38)25-5-11-30(12-6-25)44-18-15-33-13-16-43-17-14-33/h1-12,19-20H,13-18,21-22H2/b26-19+,27-20+
    MOLECULAR FORMULA
    C32H30N4O8
    CROSS REFERENCES
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    canSAR586594
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight598.21
    AlogP4.41
    HBond donors0
    HBond acceptors12
    Atoms74
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR586594.