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canSAR2093212
FEATURES
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NAMES
    SMILES
    C[C@]12C=CC(=O)C=C1[C@@H](CC=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
    InChI
    InChI=1S/C21H26O3/c1-20-8-5-14(23)12-18(20)13(7-10-22)11-15-16-3-4-19(24)21(16,2)9-6-17(15)20/h5,8,10,12-13,15-17H,3-4,6-7,9,11H2,1-2H3/t13-,15-,16-,17-,20+,21-/m0/s1
    MOLECULAR FORMULA
    C21H26O3
    CROSS REFERENCES
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    canSAR2093212

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 326.19
    AlogP 3.68
    HBond donors 0
    HBond acceptors 3
    Atoms 50
    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 canSAR2093212.