canSAR2061952
FEATURES
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NAMES
    SMILES
    Cc1c(C(=O)CSCCNC(=O)c2cccs2)[n+]([O-])c2ccccc2[n+]1[O-]
    InChI
    InChI=1S/C18H17N3O4S2/c1-12-17(21(25)14-6-3-2-5-13(14)20(12)24)15(22)11-26-10-8-19-18(23)16-7-4-9-27-16/h2-7,9H,8,10-11H2,1H3,(H,19,23)
    MOLECULAR FORMULA
    C18H17N3O4S2
    CROSS REFERENCES
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    canSAR2061952
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight403.07
    AlogP1.82
    HBond donors1
    HBond acceptors7
    Atoms44
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2061952.