991898 logo
canSAR991898
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(/C(=C/C#N)c2csc(-c3ccccc3)n2)cc(OC)c1OC
    InChI
    InChI=1S/C21H18N2O3S/c1-24-18-11-15(12-19(25-2)20(18)26-3)16(9-10-22)17-13-27-21(23-17)14-7-5-4-6-8-14/h4-9,11-13H,1-3H3/b16-9-
    MOLECULAR FORMULA
    C21H18N2O3S
    CROSS REFERENCES
    991898 logo

    canSAR991898

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.10
    AlogP 4.79
    HBond donors 0
    HBond acceptors 5
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR991898.