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canSAR655100
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NAMES
    SMILES
    COc1cc(OCc2ccccc2)ccc1CN1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1
    InChI
    InChI=1S/C26H27N3O6/c1-33-25-17-24(34-19-20-5-3-2-4-6-20)10-7-21(25)18-27-13-15-28(16-14-27)26(30)35-23-11-8-22(9-12-23)29(31)32/h2-12,17H,13-16,18-19H2,1H3
    MOLECULAR FORMULA
    C26H27N3O6
    CROSS REFERENCES
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    canSAR655100

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.19
    AlogP 4.50
    HBond donors 0
    HBond acceptors 9
    Atoms 62
    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 canSAR655100.