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canSAR914731
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NAMES
    SMILES
    COc1cc(C=CC(=O)C[C@@]23CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O
    InChI
    InChI=1S/C40H56O6/c1-24-14-19-39(35(44)45)20-21-40(23-27(41)10-8-26-9-12-29(42)30(22-26)46-7)28(34(39)25(24)2)11-13-32-37(5)17-16-33(43)36(3,4)31(37)15-18-38(32,40)6/h8-12,22,24-25,31-34,42-43H,13-21,23H2,1-7H3,(H,44,45)/t24-,25+,31+,32-,33+,34+,37+,38-,39+,40+/m1/s1
    MOLECULAR FORMULA
    C40H56O6
    CROSS REFERENCES
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    canSAR914731

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 632.41
    AlogP 8.46
    HBond donors 3
    HBond acceptors 6
    Atoms 102
    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 canSAR914731.