565545 logo
canSAR565545
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOc1ccccc1Nc1cc(S(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O.[Na+]
    InChI
    InChI=1S/C22H18N2O6S.Na/c1-2-30-16-10-6-5-9-14(16)24-15-11-17(31(27,28)29)20(23)19-18(15)21(25)12-7-3-4-8-13(12)22(19)26;/h3-11,24H,2,23H2,1H3,(H,27,28,29);/q;+1/p-1
    MOLECULAR FORMULA
    C22H17N2NaO6S
    CROSS REFERENCES
    565545 logo

    canSAR565545

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.07
    AlogP 0.09
    HBond donors 3
    HBond acceptors 8
    Atoms 49
    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 canSAR565545.