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canSAR1530111
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NAMES
    SMILES
    COc1cnc(C(F)(F)F)cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12
    InChI
    InChI=1S/C21H20F3N7O3/c1-20(2,33)11-30-10-14(28-19(32)13-8-27-31-6-4-5-25-18(13)31)17(29-30)12-7-16(21(22,23)24)26-9-15(12)34-3/h4-10,33H,11H2,1-3H3,(H,28,32)
    MOLECULAR FORMULA
    C21H20F3N7O3
    CROSS REFERENCES
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    canSAR1530111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.16
    AlogP 3.04
    HBond donors 2
    HBond acceptors 10
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1530111.