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canSAR1953912
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NAMES
    SMILES
    CC(C)(C)c1ccc(/C=C2\CC/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)cc1
    InChI
    InChI=1S/C27H32O/c1-26(2,3)23-13-7-19(8-14-23)17-21-11-12-22(25(21)28)18-20-9-15-24(16-10-20)27(4,5)6/h7-10,13-18H,11-12H2,1-6H3/b21-17+,22-18+
    MOLECULAR FORMULA
    C27H32O
    CROSS REFERENCES
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    canSAR1953912

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.25
    AlogP 7.11
    HBond donors 0
    HBond acceptors 1
    Atoms 60
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1953912.