1444304 logo
canSAR1444304
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc2c(CNCCc3cccs3)c(C(=O)O)n(Cc3ccccc3)c2c1
    InChI
    InChI=1S/C24H24N2O3S/c1-29-18-9-10-20-21(15-25-12-11-19-8-5-13-30-19)23(24(27)28)26(22(20)14-18)16-17-6-3-2-4-7-17/h2-10,13-14,25H,11-12,15-16H2,1H3,(H,27,28)
    MOLECULAR FORMULA
    C24H24N2O3S
    CROSS REFERENCES
    1444304 logo

    canSAR1444304

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.15
    AlogP 4.79
    HBond donors 2
    HBond acceptors 5
    Atoms 54
    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 canSAR1444304.