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canSAR1141976
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NAMES
    SMILES
    Cc1cc(C)c(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)s1
    InChI
    InChI=1S/C23H32N2OS/c1-18-15-19(2)27-20(18)16-24-13-10-22(21-7-3-6-12-25-21)11-14-26-23(17-22)8-4-5-9-23/h3,6-7,12,15,24H,4-5,8-11,13-14,16-17H2,1-2H3/t22-/m1/s1
    MOLECULAR FORMULA
    C23H32N2OS
    CROSS REFERENCES
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    canSAR1141976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.22
    AlogP 5.30
    HBond donors 1
    HBond acceptors 3
    Atoms 59
    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 canSAR1141976.