canSAR825639
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](OC(=O)NCCc3ccc4c(c3)OCO4)[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(C)C(C)[C@H]2OC(=O)O[C@]12C
    InChI
    InChI=1S/C49H79N3O16/c1-15-36-49(10)41(67-46(56)68-49)30(6)52(13)24-26(2)22-47(8,57)40(65-44-38(53)33(51(11)12)20-27(3)61-44)28(4)39(29(5)43(54)63-36)64-37-23-48(9,58-14)42(31(7)62-37)66-45(55)50-19-18-32-16-17-34-35(21-32)60-25-59-34/h16-17,21,26-31,33,36-42,44,53,57H,15,18-20,22-25H2,1-14H3,(H,50,55)/t26-,27-,28+,29-,30?,31+,33+,36-,37+,38-,39+,40-,41-,42+,44+,47+,48-,49-/m1/s1
    MOLECULAR FORMULA
    C49H79N3O16
    CROSS REFERENCES
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    canSAR825639
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight965.55
    AlogP4.79
    HBond donors3
    HBond acceptors19
    Atoms147
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR825639.