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canSAR1500868
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NAMES
    SMILES
    C/C(=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C19H24N8O4/c1-14(15-2-4-16(5-3-15)27(28)29)23-24-17-20-18(25-6-10-30-11-7-25)22-19(21-17)26-8-12-31-13-9-26/h2-5H,6-13H2,1H3,(H,20,21,22,24)/b23-14+
    MOLECULAR FORMULA
    C19H24N8O4
    CROSS REFERENCES
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    canSAR1500868

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.19
    AlogP 1.29
    HBond donors 1
    HBond acceptors 12
    Atoms 55
    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 canSAR1500868.