199982 logo
canSAR199982
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=S
    InChI
    InChI=1S/C16H20N2O2S2/c1-4-20-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)21/h5-9,11H,4,10H2,1-3H3,(H,17,19,21)
    MOLECULAR FORMULA
    C16H20N2O2S2
    CROSS REFERENCES
    199982 logo

    canSAR199982

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.10
    AlogP 4.17
    HBond donors 1
    HBond acceptors 4
    Atoms 42
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR199982.