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canSAR1208096
FEATURES
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NAMES
    SMILES
    CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
    InChI
    InChI=1S/C44H71NO16/c1-24(2)20-34(49)59-42-28(6)55-36(23-44(42,9)52)60-39-27(5)56-43(38(51)37(39)45(10)11)61-40-31(18-19-46)21-25(3)32(57-29(7)47)17-15-13-14-16-26(4)54-35(50)22-33(41(40)53-12)58-30(8)48/h13-15,17,19,24-28,31-33,36-43,51-52H,16,18,20-23H2,1-12H3/b14-13+,17-15+/t25-,26-,27-,28+,31+,32+,33-,36+,37-,38-,39-,40+,41+,42+,43+,44-/m1/s1
    MOLECULAR FORMULA
    C44H71NO16
    CROSS REFERENCES
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    canSAR1208096

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 869.48
    AlogP 3.58
    HBond donors 2
    HBond acceptors 17
    Atoms 132
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1208096.