1992178 logo
canSAR1992178
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccn3)C2=O)cc1OC
    InChI
    InChI=1S/C20H19N3O4S2/c1-26-14-7-6-13(11-15(14)27-2)12-16-19(25)23(20(28)29-16)10-8-18(24)22-17-5-3-4-9-21-17/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,22,24)/b16-12-
    MOLECULAR FORMULA
    C20H19N3O4S2
    CROSS REFERENCES
    1992178 logo

    canSAR1992178

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.08
    AlogP 3.33
    HBond donors 1
    HBond acceptors 7
    Atoms 48
    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 canSAR1992178.