canSAR869850
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCCl)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C43H81ClN4O12S/c1-14-31-43(10,54)35(50)28(6)48(19-15-17-45-40(61)46-18-16-44)23-24(2)21-41(8,53)37(60-39-33(49)30(47(11)12)20-25(3)56-39)26(4)34(27(5)38(52)58-31)59-32-22-42(9,55-13)36(51)29(7)57-32/h24-37,39,49-51,53-54H,14-23H2,1-13H3,(H2,45,46,61)/t24-,25-,26+,27-,28-,29+,30+,31-,32+,33-,34+,35-,36+,37-,39+,41-,42-,43-/m1/s1
    MOLECULAR FORMULA
    C43H81ClN4O12S
    CROSS REFERENCES
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    canSAR869850
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight912.53
    AlogP2.36
    HBond donors7
    HBond acceptors16
    Atoms142
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR869850.