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canSAR1690261
FEATURES
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NAMES
    SMILES
    COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
    InChI
    InChI=1S/C22H18N4O7/c1-32-21-11-16(14-23-24-22(27)12-15-5-3-2-4-6-15)7-9-20(21)33-19-10-8-17(25(28)29)13-18(19)26(30)31/h2-11,13-14H,12H2,1H3,(H,24,27)/b23-14+
    MOLECULAR FORMULA
    C22H18N4O7
    CROSS REFERENCES
    1690261 logo

    canSAR1690261

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.12
    AlogP 4.00
    HBond donors 1
    HBond acceptors 11
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1690261.