82951 logo
canSAR82951
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC(=O)c1ccc(OCCCCOc2ccc(-c3nn[nH]n3)cc2)c(C)c1O
    InChI
    InChI=1S/C21H24N4O4/c1-3-18(26)17-10-11-19(14(2)20(17)27)29-13-5-4-12-28-16-8-6-15(7-9-16)21-22-24-25-23-21/h6-11,27H,3-5,12-13H2,1-2H3,(H,22,23,24,25)
    MOLECULAR FORMULA
    C21H24N4O4
    CROSS REFERENCES
    82951 logo

    canSAR82951

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.18
    AlogP 3.71
    HBond donors 2
    HBond acceptors 8
    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 canSAR82951.