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canSAR2050107
FEATURES
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NAMES
    SMILES
    COc1cc(OC)c2c(=O)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)oc2c1
    InChI
    InChI=1S/C21H21N3O6/c1-28-16-11-18(29-2)21-17(25)13-20(30-19(21)12-16)23-9-7-22(8-10-23)14-3-5-15(6-4-14)24(26)27/h3-6,11-13H,7-10H2,1-2H3
    MOLECULAR FORMULA
    C21H21N3O6
    CROSS REFERENCES
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    canSAR2050107

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.14
    AlogP 3.04
    HBond donors 0
    HBond acceptors 9
    Atoms 51
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2050107.