canSAR2064397
FEATURES
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NAMES
    SMILES
    O=C(Nc1nc(NCc2ccccc2)nc2nc(-c3ccco3)nn12)c1ccccc1
    InChI
    InChI=1S/C22H17N7O2/c30-19(16-10-5-2-6-11-16)25-22-27-20(23-14-15-8-3-1-4-9-15)26-21-24-18(28-29(21)22)17-12-7-13-31-17/h1-13H,14H2,(H2,23,24,25,26,27,28,30)
    MOLECULAR FORMULA
    C22H17N7O2
    CROSS REFERENCES
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    canSAR2064397
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight411.14
    AlogP3.64
    HBond donors2
    HBond acceptors9
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2064397.