canSAR217891
FEATURES
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NAMES
    SMILES
    C[C@@H]1CC2(C)C(=CC1=O)CCC1C2C(=O)CC2(C)C1CC[C@]2(O)C(=O)CO
    InChI
    InChI=1S/C22H30O5/c1-12-9-20(2)13(8-16(12)24)4-5-14-15-6-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20/h8,12,14-15,19,23,27H,4-7,9-11H2,1-3H3/t12-,14?,15?,19?,20?,21?,22+/m1/s1
    MOLECULAR FORMULA
    C22H30O5
    CROSS REFERENCES
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    canSAR217891
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight374.21
    AlogP2.24
    HBond donors2
    HBond acceptors5
    Atoms57
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR217891.