1615393 logo
canSAR1615393
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C1N=C(O)C(=Cc2ccc(OCC3CCCCO3)cc2)S1
    InChI
    InChI=1S/C16H17NO4S/c18-15-14(22-16(19)17-15)9-11-4-6-12(7-5-11)21-10-13-3-1-2-8-20-13/h4-7,9,13H,1-3,8,10H2,(H,17,18,19)
    MOLECULAR FORMULA
    C16H17NO4S
    CROSS REFERENCES
    1615393 logo

    canSAR1615393

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 319.09
    AlogP 3.80
    HBond donors 1
    HBond acceptors 5
    Atoms 39
    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 canSAR1615393.