1149916 logo
canSAR1149916
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(O)c(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)c1
    InChI
    InChI=1S/C21H18N6O3S/c1-30-16-9-10-19(28)15(11-16)12-22-23-20(29)13-31-21-24-25-26-27(21)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,28H,13H2,1H3,(H,23,29)/b22-12+
    MOLECULAR FORMULA
    C21H18N6O3S
    CROSS REFERENCES
    1149916 logo

    canSAR1149916

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.12
    AlogP 2.77
    HBond donors 2
    HBond acceptors 9
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1149916.