canSAR2255815
FEATURES
Loading...
NAMES
    SMILES
    Cc1ccc(-n2[nH]c(C)c(N/N=C3\C=CC=C(c4cccc(C(=O)O)c4)C3=O)c2=O)cc1C.NCCO.NCCO
    InChI
    InChI=1S/C25H22N4O4.2C2H7NO/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33;2*3-1-2-4/h4-13,27-28H,1-3H3,(H,32,33);2*4H,1-3H2/b26-21+;;
    MOLECULAR FORMULA
    C29H36N6O6
    CROSS REFERENCES
    Loading...
    canSAR2255815
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight564.27
    AlogP1.65
    HBond donors9
    HBond acceptors12
    Atoms77
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2255815.