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canSAR934454
FEATURES
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NAMES
    SMILES
    COc1ccc(OC)c2c1C(=O)C=C([C@@H](CC=C(C)C)OC(=O)CCc1ccccc1)C2=O
    InChI
    InChI=1S/C27H28O6/c1-17(2)10-12-21(33-24(29)15-11-18-8-6-5-7-9-18)19-16-20(28)25-22(31-3)13-14-23(32-4)26(25)27(19)30/h5-10,13-14,16,21H,11-12,15H2,1-4H3/t21-/m1/s1
    MOLECULAR FORMULA
    C27H28O6
    CROSS REFERENCES
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    canSAR934454

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.19
    AlogP 4.91
    HBond donors 0
    HBond acceptors 6
    Atoms 61
    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 canSAR934454.