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canSAR1990597
FEATURES
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NAMES
    SMILES
    O=C(NN=Cc1sc(=O)[n-]c1-[n+]1ccc2ccccc2c1)c1ccccc1O
    InChI
    InChI=1S/C20H14N4O3S/c25-16-8-4-3-7-15(16)19(26)23-21-11-17-18(22-20(27)28-17)24-10-9-13-5-1-2-6-14(13)12-24/h1-12H,(H2-,21,22,23,25,26,27)
    MOLECULAR FORMULA
    C20H14N4O3S
    CROSS REFERENCES
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    canSAR1990597

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 390.08
    AlogP 1.96
    HBond donors 2
    HBond acceptors 7
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1990597.