canSAR1932478
FEATURES
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NAMES
    SMILES
    Oc1[nH]c2ccccc2c1N=Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
    InChI
    InChI=1S/C21H20N8O2/c30-18-17(15-8-4-5-9-16(15)23-18)27-28-20-24-19(22-14-6-2-1-3-7-14)25-21(26-20)29-10-12-31-13-11-29/h1-9,23,30H,10-13H2,(H,22,24,25,26)
    MOLECULAR FORMULA
    C21H20N8O2
    CROSS REFERENCES
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    canSAR1932478
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight416.17
    AlogP4.05
    HBond donors3
    HBond acceptors10
    Atoms51
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932478.