canSAR1586824
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@H](C)CCCCO[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
    InChI
    InChI=1S/C36H45F4N3O6S/c1-24-20-43(25(2)23-44)35(45)32-19-30(41-50(46,47)31-15-12-29(37)13-16-31)14-17-33(32)49-26(3)7-5-6-18-48-34(24)22-42(4)21-27-8-10-28(11-9-27)36(38,39)40/h8-17,19,24-26,34,41,44H,5-7,18,20-23H2,1-4H3/t24-,25-,26+,34-/m0/s1
    MOLECULAR FORMULA
    C36H45F4N3O6S
    CROSS REFERENCES
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    canSAR1586824
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight723.30
    AlogP6.57
    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 canSAR1586824.