1434289 logo
canSAR1434289
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(NN=Cc1sc(=O)[n-]c1-[n+]1ccc2ccccc2c1)c1ccccc1
    InChI
    InChI=1S/C20H14N4O2S/c25-19(15-7-2-1-3-8-15)23-21-12-17-18(22-20(26)27-17)24-11-10-14-6-4-5-9-16(14)13-24/h1-13H,(H-,21,22,23,25,26)
    MOLECULAR FORMULA
    C20H14N4O2S
    CROSS REFERENCES
    1434289 logo

    canSAR1434289

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 374.08
    AlogP 2.26
    HBond donors 1
    HBond acceptors 6
    Atoms 41
    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 canSAR1434289.