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canSAR782003
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)NCc3ccc(OC)cc3)[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)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C47H78N2O15/c1-16-34-47(10,55)39(52)27(4)36(50)25(2)22-45(8,57-14)40(63-43-37(51)33(49(11)12)21-26(3)59-43)28(5)38(29(6)42(53)61-34)62-35-23-46(9,58-15)41(30(7)60-35)64-44(54)48-24-31-17-19-32(56-13)20-18-31/h17-20,25-30,33-35,37-41,43,51-52,55H,16,21-24H2,1-15H3,(H,48,54)/t25-,26-,27+,28+,29-,30+,33+,34-,35+,37-,38+,39-,40-,41+,43+,45-,46-,47-/m1/s1
    MOLECULAR FORMULA
    C47H78N2O15
    CROSS REFERENCES
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    canSAR782003

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 910.54
    AlogP 4.38
    HBond donors 4
    HBond acceptors 17
    Atoms 142
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR782003.