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canSAR50393
FEATURES
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NAMES
    SMILES
    CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3C(F)(F)F)C(=O)N2)c1
    InChI
    InChI=1S/C31H36F3N5O3/c1-38(2)24-13-8-11-22(15-24)17-35-18-28(40)26(16-21-9-4-3-5-10-21)36-29(41)27-20-39(30(42)37-27)19-23-12-6-7-14-25(23)31(32,33)34/h3-15,26-28,35,40H,16-20H2,1-2H3,(H,36,41)(H,37,42)/t26-,27-,28+/m0/s1
    MOLECULAR FORMULA
    C31H36F3N5O3
    CROSS REFERENCES
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    canSAR50393

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 583.28
    AlogP 3.54
    HBond donors 4
    HBond acceptors 8
    Atoms 78
    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 canSAR50393.