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canSAR1117661
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NAMES
    SMILES
    CCCCN(C)Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1
    InChI
    InChI=1S/C23H25ClN2OS/c1-3-4-14-26(2)15-19-20(21(27)16-10-12-18(24)13-11-16)23(25)28-22(19)17-8-6-5-7-9-17/h5-13H,3-4,14-15,25H2,1-2H3
    MOLECULAR FORMULA
    C23H25ClN2OS
    CROSS REFERENCES
    1117661 logo

    canSAR1117661

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.14
    AlogP 6.11
    HBond donors 2
    HBond acceptors 3
    Atoms 53
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1117661.