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canSAR352872
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NAMES
    SMILES
    N#CC(CCSC(=S)N1CCN(c2ncccn2)CC1)(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C25H25N5S2/c26-20-25(21-8-3-1-4-9-21,22-10-5-2-6-11-22)12-19-32-24(31)30-17-15-29(16-18-30)23-27-13-7-14-28-23/h1-11,13-14H,12,15-19H2
    MOLECULAR FORMULA
    C25H25N5S2
    CROSS REFERENCES
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    canSAR352872

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.16
    AlogP 4.52
    HBond donors 0
    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 canSAR352872.