canSAR586595
FEATURES
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NAMES
    SMILES
    Cl.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.ClH/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;1H/b26-19+,27-20+;
    MOLECULAR FORMULA
    C32H31ClN4O8
    CROSS REFERENCES
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    canSAR586595
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight634.18
    AlogP4.83
    HBond donors0
    HBond acceptors12
    Atoms76
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR586595.