canSAR1416936
FEATURES
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NAMES
    SMILES
    C[C@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1
    InChI
    InChI=1S/C36H46F3N3O6S/c1-25-21-42(26(2)24-43)35(44)32-20-30(40-49(45,46)31-11-6-5-7-12-31)17-18-33(32)48-27(3)10-8-9-19-47-34(25)23-41(4)22-28-13-15-29(16-14-28)36(37,38)39/h5-7,11-18,20,25-27,34,40,43H,8-10,19,21-24H2,1-4H3/t25-,26+,27-,34-/m0/s1
    MOLECULAR FORMULA
    C36H46F3N3O6S
    CROSS REFERENCES
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    canSAR1416936
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight705.31
    AlogP6.43
    HBond donors2
    HBond acceptors9
    Atoms95
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1416936.