canSAR816839
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](SC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C
    InChI
    InChI=1S/C45H55NO14S/c1-23-28(58-38(52)33(50)32(26-16-12-10-13-17-26)46-40(54)60-41(4,5)6)21-45(55)37(61-39(53)27-18-14-11-15-19-27)35-43(9,29(49)20-30-44(35,22-56-30)59-25(3)48)36(51)34(57-24(2)47)31(23)42(45,7)8/h10-19,28-30,32-35,37,49-50,55H,20-22H2,1-9H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
    MOLECULAR FORMULA
    C45H55NO14S
    CROSS REFERENCES
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    canSAR816839
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight865.33
    AlogP4.55
    HBond donors4
    HBond acceptors15
    Atoms116
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR816839.