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canSAR831034
FEATURES
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NAMES
    SMILES
    C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(=O)/C=C/c1ccccc1)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)C)[C@@H]2OC(C)C)C1(C)C
    InChI
    InChI=1S/C44H54O7/c1-27(2)48-41-38-29(5)34(45)26-33(43(38,7)8)40(51-37(47)23-21-32-18-14-11-15-19-32)39-30(6)35(24-25-44(39,9)42(41)49-28(3)4)50-36(46)22-20-31-16-12-10-13-17-31/h10-23,27-28,33,35,39-42H,6,24-26H2,1-5,7-9H3/b22-20+,23-21+/t33-,35-,39-,40+,41+,42-,44+/m0/s1
    MOLECULAR FORMULA
    C44H54O7
    CROSS REFERENCES
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    canSAR831034

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 694.39
    AlogP 8.74
    HBond donors 0
    HBond acceptors 7
    Atoms 105
    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 canSAR831034.