canSAR1705866
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N[C@H](c1ccc([C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c2ccc3ncccc3c2)s1)C(F)(F)F)C(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C40H43F3N4O6S2/c1-39(2,3)21-23-47(55(51,52)29-17-18-30-28(24-29)16-11-22-44-30)31(25-48)32-19-20-33(54-32)36(40(41,42)43)46-37(49)35(45-38(50)53-4)34(26-12-7-5-8-13-26)27-14-9-6-10-15-27/h5-20,22,24,31,34-36,48H,21,23,25H2,1-4H3,(H,45,50)(H,46,49)/t31-,35+,36-/m1/s1
    MOLECULAR FORMULA
    C40H43F3N4O6S2
    CROSS REFERENCES
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    canSAR1705866
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight796.26
    AlogP7.73
    HBond donors3
    HBond acceptors10
    Atoms98
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1705866.