92061 logo
canSAR92061
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O
    InChI
    InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+
    MOLECULAR FORMULA
    C23H28N4O2
    CROSS REFERENCES
    92061 logo

    canSAR92061

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 392.22
    AlogP 2.39
    HBond donors 2
    HBond acceptors 6
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR92061.