canSAR208064
FEATURES
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NAMES
    SMILES
    CSSCCC(=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](OC(=O)c2cccc(N(C)C)c2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C1C2(C)C
    InChI
    InChI=1S/C47H66N2O15S2/c1-24(2)19-29(48-42(57)64-43(5,6)7)35(53)41(56)60-30-22-47(58)39(62-40(55)27-15-14-16-28(20-27)49(11)12)37-45(10,31(51)21-32-46(37,23-59-32)63-26(4)50)38(54)36(34(25(30)3)44(47,8)9)61-33(52)17-18-66-65-13/h14-16,19-20,29-32,35-37,39,51,53,58H,17-18,21-23H2,1-13H3,(H,48,57)/t29-,30-,31-,32+,35+,36+,37-,39-,45+,46-,47+/m0/s1
    MOLECULAR FORMULA
    C47H66N2O15S2
    CROSS REFERENCES
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    canSAR208064
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight962.39
    AlogP4.87
    HBond donors4
    HBond acceptors17
    Atoms132
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR208064.