1441437 logo
canSAR1441437
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCN(CC)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1.O=S(=O)(O)O
    InChI
    InChI=1S/C18H22N2O3S.H2O4S/c1-3-20(4-2)16-7-5-15(6-8-16)19-17(21)12-23-18(22)11-14-9-10-24-13-14;1-5(2,3)4/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21);(H2,1,2,3,4)
    MOLECULAR FORMULA
    C18H24N2O7S2
    CROSS REFERENCES
    1441437 logo

    canSAR1441437

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.10
    AlogP 2.67
    HBond donors 3
    HBond acceptors 9
    Atoms 53
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1441437.