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canSAR782257
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NAMES
    SMILES
    COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)CCC[C@@]31C)CO2)C1CO1
    InChI
    InChI=1S/C21H32O4/c1-19(2)9-5-10-20(3)16(19)8-11-21(13-25-21)17(20)7-6-14(15-12-24-15)18(22)23-4/h6,15-17H,5,7-13H2,1-4H3/b14-6+/t15?,16-,17+,20-,21+/m0/s1
    MOLECULAR FORMULA
    C21H32O4
    CROSS REFERENCES
    782257 logo

    canSAR782257

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 348.23
    AlogP 3.89
    HBond donors 0
    HBond acceptors 4
    Atoms 57
    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 canSAR782257.