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canSAR1690822
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NAMES
    SMILES
    O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)Nc1nccs1
    InChI
    InChI=1S/C21H16N6O2S3/c28-18(23-19-22-10-11-30-19)13-31-20-25-24-17(27(20)14-6-2-1-3-7-14)12-26-15-8-4-5-9-16(15)32-21(26)29/h1-11H,12-13H2,(H,22,23,28)
    MOLECULAR FORMULA
    C21H16N6O2S3
    CROSS REFERENCES
    1690822 logo

    canSAR1690822

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.05
    AlogP 3.88
    HBond donors 1
    HBond acceptors 8
    Atoms 48
    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 canSAR1690822.