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canSAR560511
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)[C@H](CC(C)C)Nc2cc(C)nc(NCCc3ccc(F)cc3)n2)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C26H32FN5O2.C2HF3O2/c1-17(2)15-23(25(33)30-21-9-11-22(34-4)12-10-21)31-24-16-18(3)29-26(32-24)28-14-13-19-5-7-20(27)8-6-19;3-2(4,5)1(6)7/h5-12,16-17,23H,13-15H2,1-4H3,(H,30,33)(H2,28,29,31,32);(H,6,7)
    MOLECULAR FORMULA
    C28H33F4N5O4
    CROSS REFERENCES
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    canSAR560511

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 579.25
    AlogP 5.69
    HBond donors 4
    HBond acceptors 9
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR560511.