1446661 logo
canSAR1446661
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Br.Cc1c(CCOC(=O)C2C3CC4CC(C3)CC2C4)sc[n+]1CC(=O)c1ccc(Br)cc1
    InChI
    InChI=1S/C25H29BrNO3S.BrH/c1-15-23(31-14-27(15)13-22(28)18-2-4-21(26)5-3-18)6-7-30-25(29)24-19-9-16-8-17(11-19)12-20(24)10-16;/h2-5,14,16-17,19-20,24H,6-13H2,1H3;1H/q+1;
    MOLECULAR FORMULA
    C25H30Br2NO3S+
    CROSS REFERENCES
    1446661 logo

    canSAR1446661

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.03
    AlogP 5.73
    HBond donors 0
    HBond acceptors 4
    Atoms 62
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1446661.