canSAR622835
FEATURES
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NAMES
    SMILES
    COc1nc(O)nc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(OC)nc(O)nc1O2
    InChI
    InChI=1S/C17H13N5O7/c1-27-12-10-9(7-3-5-8(6-4-7)22(25)26)11-13(28-2)19-17(24)21-15(11)29-14(10)20-16(23)18-12/h3-6,9H,1-2H3,(H,18,20,23)(H,19,21,24)
    MOLECULAR FORMULA
    C17H13N5O7
    CROSS REFERENCES
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    canSAR622835
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight399.08
    AlogP1.89
    HBond donors2
    HBond acceptors12
    Atoms42
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR622835.