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canSAR1063702
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NAMES
    SMILES
    CC(C)(C)c1cc(C(C)(C)/C=N/O)cc(C(C)(C)C)c1O
    InChI
    InChI=1S/C18H29NO2/c1-16(2,3)13-9-12(18(7,8)11-19-21)10-14(15(13)20)17(4,5)6/h9-11,20-21H,1-8H3/b19-11+
    MOLECULAR FORMULA
    C18H29NO2
    CROSS REFERENCES
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    canSAR1063702

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 291.22
    AlogP 4.72
    HBond donors 2
    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 canSAR1063702.