canSAR2080606
FEATURES
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NAMES
    SMILES
    Cc1cc(C)nc(SCC(=O)Nc2nnc(Cc3cccc4ccccc34)s2)n1
    InChI
    InChI=1S/C21H19N5OS2/c1-13-10-14(2)23-20(22-13)28-12-18(27)24-21-26-25-19(29-21)11-16-8-5-7-15-6-3-4-9-17(15)16/h3-10H,11-12H2,1-2H3,(H,24,26,27)
    MOLECULAR FORMULA
    C21H19N5OS2
    CROSS REFERENCES
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    canSAR2080606
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight421.10
    AlogP4.42
    HBond donors1
    HBond acceptors6
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080606.