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canSAR1859873
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NAMES
    SMILES
    CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccncc3)nnn2-c2nonc2N)cc1
    InChI
    InChI=1S/C21H21N9O3/c1-3-12-32-16-6-4-15(5-7-16)18-17(25-29-30(18)20-19(22)27-33-28-20)21(31)26-24-13(2)14-8-10-23-11-9-14/h4-11H,3,12H2,1-2H3,(H2,22,27)(H,26,31)/b24-13+
    MOLECULAR FORMULA
    C21H21N9O3
    CROSS REFERENCES
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    canSAR1859873

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.18
    AlogP 2.24
    HBond donors 3
    HBond acceptors 12
    Atoms 54
    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 canSAR1859873.