5016 logo
canSAR5016
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5[nH]nnc5c4)c3c2C)cc1
    InChI
    InChI=1S/C23H23N7O/c1-5-31-18-9-7-17(8-10-18)30-14(3)21-13(2)25-28-23(22(21)15(30)4)24-16-6-11-19-20(12-16)27-29-26-19/h6-12H,5H2,1-4H3,(H,24,28)(H,26,27,29)
    MOLECULAR FORMULA
    C23H23N7O
    CROSS REFERENCES
    5016 logo

    canSAR5016

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.20
    AlogP 4.76
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    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 canSAR5016.