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canSAR1621479
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NCCCN2CCOCC2)cc1
    InChI
    InChI=1S/C28H30N4O6/c1-20-6-8-21(9-7-20)27(33)30-25(28(34)29-12-3-13-31-14-16-37-17-15-31)19-24-10-11-26(38-24)22-4-2-5-23(18-22)32(35)36/h2,4-11,18-19H,3,12-17H2,1H3,(H,29,34)(H,30,33)/b25-19-
    MOLECULAR FORMULA
    C28H30N4O6
    CROSS REFERENCES
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    canSAR1621479

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.22
    AlogP 3.77
    HBond donors 2
    HBond acceptors 10
    Atoms 68
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1621479.