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canSAR1433918
FEATURES
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NAMES
    SMILES
    CCC(C)C(=O)O[C@@H]1C[C@@]2(C)C(c3ccoc3)OC(=O)CC23OC2(C)O[C@@]14[C@@]1(C)C(CC(=O)OC)C5(C)CC1(O)[C@](O)(C5OC(=O)C1(C)OC1C)C(OC(C)=O)[C@@]34O2
    InChI
    InChI=1S/C41H52O17/c1-11-19(2)28(45)52-24-15-33(6)27(22-12-13-50-17-22)53-26(44)16-38(33)41-30(51-21(4)42)39(48)29(54-31(46)34(7)20(3)55-34)32(5)18-37(39,47)35(8,23(32)14-25(43)49-10)40(24,41)57-36(9,56-38)58-41/h12-13,17,19-20,23-24,27,29-30,47-48H,11,14-16,18H2,1-10H3/t19?,20?,23?,24-,27?,29?,30?,32?,33+,34?,35+,36?,37?,38?,39?,40-,41-/m1/s1
    MOLECULAR FORMULA
    C41H52O17
    CROSS REFERENCES
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    canSAR1433918

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 816.32
    AlogP 2.71
    HBond donors 2
    HBond acceptors 17
    Atoms 110
    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 canSAR1433918.