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canSAR2050134
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NAMES
    SMILES
    Cc1cc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1-c1ccc(Cl)cc1
    InChI
    InChI=1S/C27H36ClN3/c1-19-11-24(20(2)31(19)26-5-3-25(28)4-6-26)18-29-7-9-30(10-8-29)27-15-21-12-22(16-27)14-23(13-21)17-27/h3-6,11,21-23H,7-10,12-18H2,1-2H3
    MOLECULAR FORMULA
    C27H36ClN3
    CROSS REFERENCES
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    canSAR2050134

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.26
    AlogP 5.83
    HBond donors 0
    HBond acceptors 3
    Atoms 67
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2050134.