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canSAR149282
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NAMES
    SMILES
    CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
    InChI
    InChI=1S/C27H39N3O4S/c1-22(2)25-9-6-7-10-26(25)30-19-17-29(18-20-30)16-8-4-5-11-27(31)28-21-23-12-14-24(15-13-23)34-35(3,32)33/h6-7,9-10,12-15,22H,4-5,8,11,16-21H2,1-3H3,(H,28,31)
    MOLECULAR FORMULA
    C27H39N3O4S
    CROSS REFERENCES
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    canSAR149282

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.27
    AlogP 4.15
    HBond donors 1
    HBond acceptors 7
    Atoms 74
    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 canSAR149282.