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canSAR1019462
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NAMES
    SMILES
    CC(=O)OC1=CCC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]12
    InChI
    InChI=1S/C21H30O3/c1-13(22)24-18-5-4-11-20(2)16-10-12-21(3)15(8-9-19(21)23)14(16)6-7-17(18)20/h5,14-17H,4,6-12H2,1-3H3/t14-,15-,16-,17-,20+,21-/m0/s1
    MOLECULAR FORMULA
    C21H30O3
    CROSS REFERENCES
    1019462 logo

    canSAR1019462

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 330.22
    AlogP 4.66
    HBond donors 0
    HBond acceptors 3
    Atoms 54
    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 canSAR1019462.