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canSAR1727177
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NAMES
    SMILES
    Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1CC1CCCO1
    InChI
    InChI=1S/C21H24N4O2S2/c1-14-11-18(15(2)25(14)12-17-9-6-10-27-17)19(26)13-28-21-24-23-20(29-21)22-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3,(H,22,23)
    MOLECULAR FORMULA
    C21H24N4O2S2
    CROSS REFERENCES
    1727177 logo

    canSAR1727177

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.13
    AlogP 4.85
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1727177.