2017983 logo
canSAR2017983
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOC(=O)c1c(NC(=O)C(C)Sc2cn(CCNC(=O)c3ccc(OC)cc3)c3ccccc23)sc2c1CCC2
    InChI
    InChI=1S/C31H33N3O5S2/c1-4-39-31(37)27-23-9-7-11-25(23)41-30(27)33-28(35)19(2)40-26-18-34(24-10-6-5-8-22(24)26)17-16-32-29(36)20-12-14-21(38-3)15-13-20/h5-6,8,10,12-15,18-19H,4,7,9,11,16-17H2,1-3H3,(H,32,36)(H,33,35)
    MOLECULAR FORMULA
    C31H33N3O5S2
    CROSS REFERENCES
    2017983 logo

    canSAR2017983

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.19
    AlogP 5.93
    HBond donors 2
    HBond acceptors 8
    Atoms 74
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2017983.