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canSAR1433171
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NAMES
    SMILES
    Cc1cc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)SC(C)C3)no1
    InChI
    InChI=1S/C21H22N4O3S2/c1-13-10-17(24-28-13)23-18(26)12-29-21-22-16-11-14(2)30-19(16)20(27)25(21)9-8-15-6-4-3-5-7-15/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,23,24,26)
    MOLECULAR FORMULA
    C21H22N4O3S2
    CROSS REFERENCES
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    canSAR1433171

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.11
    AlogP 3.55
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    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 canSAR1433171.