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canSAR2093906
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NAMES
    SMILES
    NCCCCNC(=O)C(c1ccc(Br)cc1)N(Cc1ccccc1)C(=O)CCS
    InChI
    InChI=1S/C22H28BrN3O2S/c23-19-10-8-18(9-11-19)21(22(28)25-14-5-4-13-24)26(20(27)12-15-29)16-17-6-2-1-3-7-17/h1-3,6-11,21,29H,4-5,12-16,24H2,(H,25,28)
    MOLECULAR FORMULA
    C22H28BrN3O2S
    CROSS REFERENCES
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    canSAR2093906

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.11
    AlogP 3.69
    HBond donors 3
    HBond acceptors 5
    Atoms 57
    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 canSAR2093906.