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canSAR2087795
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NAMES
    SMILES
    COc1ccc2nc(NC3=NC(C(=O)Nc4ccccc4)CC(=O)N3)nc(C)c2c1
    InChI
    InChI=1S/C21H20N6O3/c1-12-15-10-14(30-2)8-9-16(15)24-20(22-12)27-21-25-17(11-18(28)26-21)19(29)23-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,23,29)(H2,22,24,25,26,27,28)
    MOLECULAR FORMULA
    C21H20N6O3
    CROSS REFERENCES
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    canSAR2087795

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.16
    AlogP 2.24
    HBond donors 3
    HBond acceptors 9
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2087795.