563305 logo
canSAR563305
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(CN/C(=C/c1ccc2ccccc2[n+]1C)SC)OC
    InChI
    InChI=1S/C17H22N2O2S/c1-19-14(10-9-13-7-5-6-8-15(13)19)11-16(22-4)18-12-17(20-2)21-3/h5-11,17H,12H2,1-4H3/p+1
    MOLECULAR FORMULA
    C17H23N2O2S+
    CROSS REFERENCES
    563305 logo

    canSAR563305

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 319.15
    AlogP 2.53
    HBond donors 1
    HBond acceptors 4
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR563305.