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canSAR176604
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NAMES
    SMILES
    O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cnn(CC(F)(F)F)c3n2)cc1)Nc1cccnc1
    InChI
    InChI=1S/C23H21F3N8O2/c24-23(25,26)14-34-21-18(13-28-34)20(33-8-10-36-11-9-33)31-19(32-21)15-3-5-16(6-4-15)29-22(35)30-17-2-1-7-27-12-17/h1-7,12-13H,8-11,14H2,(H2,29,30,35)
    MOLECULAR FORMULA
    C23H21F3N8O2
    CROSS REFERENCES
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    canSAR176604

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.17
    AlogP 3.93
    HBond donors 2
    HBond acceptors 10
    Atoms 57
    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 canSAR176604.