canSAR820544
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)CCC(O)(Cc1ccccc1)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)C(=O)Nc1ccc(C(=O)O)cc1
    InChI
    InChI=1S/C41H46FN5O9S/c1-25(2)36(38(50)44-32-17-13-29(14-18-32)39(51)52)46-35(48)19-20-41(54,24-27-9-7-6-8-10-27)40(53)45-33-21-30(22-34(23-33)47(4)57(5,55)56)37(49)43-26(3)28-11-15-31(42)16-12-28/h6-18,21-23,25-26,36,54H,19-20,24H2,1-5H3,(H,43,49)(H,44,50)(H,45,53)(H,46,48)(H,51,52)/t26-,36+,41?/m1/s1
    MOLECULAR FORMULA
    C41H46FN5O9S
    CROSS REFERENCES
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    canSAR820544
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight803.30
    AlogP4.88
    HBond donors6
    HBond acceptors14
    Atoms103
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820544.