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canSAR171728
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NAMES
    SMILES
    CC12C=CC(=O)C=C1C=CC1C2C=CC2(C)C1CC[C@@]21CCC(=O)O1
    InChI
    InChI=1S/C22H24O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-6,9-10,13,16-18H,7-8,11-12H2,1-2H3/t16?,17?,18?,20?,21?,22-/m1/s1
    MOLECULAR FORMULA
    C22H24O3
    CROSS REFERENCES
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    canSAR171728

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.17
    AlogP 3.92
    HBond donors 0
    HBond acceptors 3
    Atoms 49
    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 canSAR171728.