561930 logo
canSAR561930
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    NS(=O)(=O)c1ccc(CC[n+]2c(-c3ccccc3)cccc2-c2ccccc2)cc1
    InChI
    InChI=1S/C25H23N2O2S/c26-30(28,29)23-16-14-20(15-17-23)18-19-27-24(21-8-3-1-4-9-21)12-7-13-25(27)22-10-5-2-6-11-22/h1-17H,18-19H2,(H2,26,28,29)/q+1
    MOLECULAR FORMULA
    C25H23N2O2S+
    CROSS REFERENCES
    561930 logo

    canSAR561930

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 415.15
    AlogP 4.20
    HBond donors 2
    HBond acceptors 4
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR561930.