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canSAR989173
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NAMES
    SMILES
    COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(-n3cnn(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)c3=O)cc2)c1
    InChI
    InChI=1S/C30H27F2N7O5/c1-43-24-9-11-27(44-2)20(13-24)3-12-28(40)36-22-5-7-23(8-6-22)38-19-35-39(29(38)41)16-30(42,15-37-18-33-17-34-37)25-10-4-21(31)14-26(25)32/h3-14,17-19,42H,15-16H2,1-2H3,(H,36,40)/b12-3+/t30-/m0/s1
    MOLECULAR FORMULA
    C30H27F2N7O5
    CROSS REFERENCES
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    canSAR989173

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.20
    AlogP 3.16
    HBond donors 2
    HBond acceptors 12
    Atoms 71
    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 canSAR989173.