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canSAR1526315
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NAMES
    SMILES
    COc1ccc([C-](Cc2ccccc2)/N=[NH+]/c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1
    InChI
    InChI=1S/C21H17N4O5/c1-30-18-10-7-16(8-11-18)19(13-15-5-3-2-4-6-15)23-22-17-9-12-20(24(26)27)21(14-17)25(28)29/h2-12,14H,13H2,1H3/q-1/p+1/b23-22+
    MOLECULAR FORMULA
    C21H18N4O5
    CROSS REFERENCES
    1526315 logo

    canSAR1526315

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.13
    AlogP 3.50
    HBond donors 1
    HBond acceptors 9
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1526315.