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canSAR1132187
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NAMES
    SMILES
    O=c1[nH]c2c(c(=O)[nH]1)C(c1ccccc1[N+](=O)[O-])Nc1cc3c(cc1-2)NC(c1ccccc1[N+](=O)[O-])c1c-3[nH]c(=O)[nH]c1=O
    InChI
    InChI=1S/C28H18N8O8/c37-25-19-21(11-5-1-3-7-17(11)35(41)42)29-15-9-14-16(10-13(15)23(19)31-27(39)33-25)30-22(12-6-2-4-8-18(12)36(43)44)20-24(14)32-28(40)34-26(20)38/h1-10,21-22,29-30H,(H2,31,33,37,39)(H2,32,34,38,40)
    MOLECULAR FORMULA
    C28H18N8O8
    CROSS REFERENCES
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    canSAR1132187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.12
    AlogP 2.62
    HBond donors 6
    HBond acceptors 16
    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 canSAR1132187.