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canSAR1123976
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NAMES
    SMILES
    CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cn2)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F
    InChI
    InChI=1S/C29H26Cl2F2N4O3/c1-28(2,3)12-21-29(14-34,18-9-8-16(30)11-20(18)32)23(17-5-4-6-19(31)24(17)33)25(36-21)26(38)37-22-10-7-15(13-35-22)27(39)40/h4-11,13,21,23,25,36H,12H2,1-3H3,(H,39,40)(H,35,37,38)/t21-,23-,25+,29-/m0/s1
    MOLECULAR FORMULA
    C29H26Cl2F2N4O3
    CROSS REFERENCES
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    canSAR1123976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.14
    AlogP 6.33
    HBond donors 3
    HBond acceptors 7
    Atoms 66
    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 canSAR1123976.