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canSAR916249
FEATURES
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NAMES
    SMILES
    Nc1ccccc1NC(=O)/C=C/c1ccc(C(NCCN2C[C@@H]3C[C@H]2CO3)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
    InChI
    InChI=1S/C31H32F3N5O4/c32-31(33,34)43-24-12-10-22(11-13-24)37-30(41)29(36-15-16-39-18-25-17-23(39)19-42-25)21-8-5-20(6-9-21)7-14-28(40)38-27-4-2-1-3-26(27)35/h1-14,23,25,29,36H,15-19,35H2,(H,37,41)(H,38,40)/b14-7+/t23-,25-,29?/m0/s1
    MOLECULAR FORMULA
    C31H32F3N5O4
    CROSS REFERENCES
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    canSAR916249

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 595.24
    AlogP 4.56
    HBond donors 5
    HBond acceptors 9
    Atoms 75
    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 canSAR916249.