1957540 logo
canSAR1957540
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N21
    InChI
    InChI=1S/C20H16N4O6S3/c1-2-32(26,27)20-23-31-19-22-18(25)16(17(21)24(19)20)12-13-8-10-14(11-9-13)30-33(28,29)15-6-4-3-5-7-15/h3-12,21H,2H2,1H3/b16-12-,21-17?
    MOLECULAR FORMULA
    C20H16N4O6S3
    CROSS REFERENCES
    1957540 logo

    canSAR1957540

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.02
    AlogP 2.47
    HBond donors 1
    HBond acceptors 10
    Atoms 49
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1957540.