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canSAR1616249
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NAMES
    SMILES
    Nc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1N=Nc1ccc2c(c1)OCO2
    InChI
    InChI=1S/C19H14N6O3/c20-18-17(23-22-12-6-7-14-15(8-12)28-10-27-14)19-21-13(9-16(26)25(19)24-18)11-4-2-1-3-5-11/h1-9,24H,10,20H2
    MOLECULAR FORMULA
    C19H14N6O3
    CROSS REFERENCES
    1616249 logo

    canSAR1616249

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.11
    AlogP 3.42
    HBond donors 3
    HBond acceptors 9
    Atoms 42
    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 canSAR1616249.