102545 logo
canSAR102545
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)OCC1CCCO1
    InChI
    InChI=1S/C25H24N2O6S/c28-24(18-7-2-1-3-8-18)22-10-4-5-11-23(22)27-34(30,31)21-14-12-19(13-15-21)26-25(29)33-17-20-9-6-16-32-20/h1-5,7-8,10-15,20,27H,6,9,16-17H2,(H,26,29)
    MOLECULAR FORMULA
    C25H24N2O6S
    CROSS REFERENCES
    102545 logo

    canSAR102545

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.14
    AlogP 4.45
    HBond donors 2
    HBond acceptors 8
    Atoms 58
    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 canSAR102545.