1969790 logo
canSAR1969790
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1
    InChI
    InChI=1S/C22H28N2O4S/c1-4-28-21-11-7-18(8-12-21)22(25)24(20-13-14-29(26,27)16-20)15-17-5-9-19(10-6-17)23(2)3/h5-12,20H,4,13-16H2,1-3H3
    MOLECULAR FORMULA
    C22H28N2O4S
    CROSS REFERENCES
    1969790 logo

    canSAR1969790

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.18
    AlogP 2.98
    HBond donors 0
    HBond acceptors 6
    Atoms 57
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1969790.