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canSAR1441248
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NAMES
    SMILES
    CSc1nn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c(NC(=S)Nc2ccccc2)c1C#N
    InChI
    InChI=1S/C21H18N8O3S4/c1-34-19-14(10-22)18(27-20(33)24-12-5-3-2-4-6-12)29(28-19)11-17(30)26-21-25-15-8-7-13(36(23,31)32)9-16(15)35-21/h2-9H,11H2,1H3,(H2,23,31,32)(H2,24,27,33)(H,25,26,30)
    MOLECULAR FORMULA
    C21H18N8O3S4
    CROSS REFERENCES
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    canSAR1441248

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.04
    AlogP 3.18
    HBond donors 5
    HBond acceptors 11
    Atoms 54
    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 canSAR1441248.