canSAR284939
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@]12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)/C=C/c4cccs4)C(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
    InChI
    InChI=1S/C43H53NO13S/c1-22-26(55-38(52)32(49)34(39(3,4)5)44-29(47)17-16-25-15-12-18-58-25)20-43(53)36(56-37(51)24-13-10-9-11-14-24)33-41(8,35(50)31(48)30(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,31-34,36,46,48-49,53H,19-21H2,1-8H3,(H,44,47)/b17-16+/t26-,27-,28?,31+,32+,33-,34+,36-,41+,42-,43+/m0/s1
    MOLECULAR FORMULA
    C43H53NO13S
    CROSS REFERENCES
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    canSAR284939
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight823.32
    AlogP3.30
    HBond donors5
    HBond acceptors14
    Atoms111
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR284939.