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canSAR1156445
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=C\C(=O)NCCc2ccc(O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1
    InChI
    InChI=1S/C38H51NO18/c1-18-33(52-19(2)42)34(56-36-31(48)29(46)27(44)24(16-40)54-36)35(57-37-32(49)30(47)28(45)25(17-41)55-37)38(51-18)53-23-11-6-21(7-12-23)14-15-39-26(43)13-8-20-4-9-22(50-3)10-5-20/h4-13,18,24-25,27-38,40-41,44-49H,14-17H2,1-3H3,(H,39,43)/b13-8-/t18-,24+,25+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C38H51NO18
    CROSS REFERENCES
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    canSAR1156445

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 809.31
    AlogP -2.51
    HBond donors 9
    HBond acceptors 19
    Atoms 108
    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 canSAR1156445.