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canSAR2051769
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)C2=C3OC(C)(C)[C@@H](CC=C(C)C)C[C@@]34C[C@@H](/C=C\C(C)C)C(C)(C)[C@@](CC=C(C)C)(C2=O)C4=O)cc1O
    InChI
    InChI=1S/C39H52O6/c1-23(2)12-15-27-21-38-22-28(16-13-24(3)4)37(9,10)45-34(38)31(32(41)26-14-17-30(44-11)29(40)20-26)33(42)39(35(38)43,36(27,7)8)19-18-25(5)6/h12-15,17-18,20,23,27-28,40H,16,19,21-22H2,1-11H3/b15-12-/t27-,28+,38+,39+/m1/s1
    MOLECULAR FORMULA
    C39H52O6
    CROSS REFERENCES
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    canSAR2051769

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 616.38
    AlogP 8.75
    HBond donors 1
    HBond acceptors 6
    Atoms 97
    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 canSAR2051769.