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canSAR46543
FEATURES
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NAMES
    SMILES
    COC(=O)C1c2cc3c(c(O)c2C(OC2OC(C)C(OC)C(C)(OC)C2OC)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C=O)C1O
    InChI
    InChI=1S/C39H47NO17/c1-14-32(50-6)39(4,53-9)33(51-7)36(54-14)55-19-12-37(2,49)24(34(48)52-8)15-10-16-21(27(44)20(15)19)28(45)22-18(42)11-17-30(23(22)26(16)43)56-35-29(46)25(40(5)13-41)31(47)38(17,3)57-35/h10-11,13-14,19,24-25,29,31-33,35-36,42,44,46-47,49H,12H2,1-9H3
    MOLECULAR FORMULA
    C39H47NO17
    CROSS REFERENCES
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    canSAR46543

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 801.28
    AlogP 0.66
    HBond donors 5
    HBond acceptors 18
    Atoms 104
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR46543.