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canSAR220728
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NAMES
    SMILES
    O=C1/C(=N/OCCF)c2ccncc2N1Cc1nc2ccccc2n1CCCCF
    InChI
    InChI=1S/C21H21F2N5O2/c22-8-3-4-11-27-17-6-2-1-5-16(17)25-19(27)14-28-18-13-24-10-7-15(18)20(21(28)29)26-30-12-9-23/h1-2,5-7,10,13H,3-4,8-9,11-12,14H2/b26-20+
    MOLECULAR FORMULA
    C21H21F2N5O2
    CROSS REFERENCES
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    canSAR220728

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.17
    AlogP 3.42
    HBond donors 0
    HBond acceptors 7
    Atoms 51
    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 canSAR220728.