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canSAR780047
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NAMES
    SMILES
    CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](C1CCCCC1)N2
    InChI
    InChI=1S/C22H33NO/c1-22(2,3)16-11-12-19-18(14-16)21-17(10-7-13-24-21)20(23-19)15-8-5-4-6-9-15/h11-12,14-15,17,20-21,23H,4-10,13H2,1-3H3/t17-,20-,21-/m0/s1
    MOLECULAR FORMULA
    C22H33NO
    CROSS REFERENCES
    780047 logo

    canSAR780047

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.26
    AlogP 5.83
    HBond donors 1
    HBond acceptors 2
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR780047.