1769156 logo
canSAR1769156
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Oc1ccc(CN=Nc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)c(O)c1
    InChI
    InChI=1S/C22H31N7O2/c30-18-10-9-17(19(31)15-18)16-23-27-20-24-21(28-11-5-1-2-6-12-28)26-22(25-20)29-13-7-3-4-8-14-29/h9-10,15,30-31H,1-8,11-14,16H2
    MOLECULAR FORMULA
    C22H31N7O2
    CROSS REFERENCES
    1769156 logo

    canSAR1769156

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.25
    AlogP 4.33
    HBond donors 2
    HBond acceptors 9
    Atoms 62
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1769156.