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canSAR788770
FEATURES
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NAMES
    SMILES
    C/C=C/C=C/C(=O)O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@@H]1OC
    InChI
    InChI=1S/C22H32O5/c1-6-7-8-9-18(23)26-16-12-13-22(14-25-22)20(19(16)24-5)21(4)17(27-21)11-10-15(2)3/h6-10,16-17,19-20H,11-14H2,1-5H3/b7-6+,9-8+/t16-,17-,19-,20-,21+,22+/m1/s1
    MOLECULAR FORMULA
    C22H32O5
    CROSS REFERENCES
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    canSAR788770

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.22
    AlogP 3.74
    HBond donors 0
    HBond acceptors 5
    Atoms 59
    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 canSAR788770.