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canSAR1859205
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NAMES
    SMILES
    Cn1c(=O)[nH]c(=O)c2c1nc(N=NCc1ccc([N+](=O)[O-])cc1)n2Cc1ccccc1
    InChI
    InChI=1S/C20H17N7O4/c1-25-17-16(18(28)23-20(25)29)26(12-14-5-3-2-4-6-14)19(22-17)24-21-11-13-7-9-15(10-8-13)27(30)31/h2-10H,11-12H2,1H3,(H,23,28,29)
    MOLECULAR FORMULA
    C20H17N7O4
    CROSS REFERENCES
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    canSAR1859205

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.13
    AlogP 2.66
    HBond donors 1
    HBond acceptors 11
    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 canSAR1859205.