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canSAR176900
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NAMES
    SMILES
    C=C(C)[C@@H]1CCC(C)=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C1
    InChI
    InChI=1S/C21H28O2/c1-15(2)19-12-10-18(5)20(14-19)11-9-16(3)7-6-8-17(4)13-21(22)23/h6-9,11,13,19H,1,10,12,14H2,2-5H3,(H,22,23)/b8-6+,11-9+,16-7-,17-13+/t19-/m1/s1
    MOLECULAR FORMULA
    C21H28O2
    CROSS REFERENCES
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    canSAR176900

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 312.21
    AlogP 5.77
    HBond donors 1
    HBond acceptors 2
    Atoms 51
    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 canSAR176900.