canSAR2080011
FEATURES
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NAMES
    SMILES
    CC(C)=CC(=O)Nc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\O)C(=O)N2
    InChI
    InChI=1S/C21H18N4O3/c1-11(2)9-17(26)22-12-7-8-16-14(10-12)18(21(27)24-16)20-19(25-28)13-5-3-4-6-15(13)23-20/h3-10,23,28H,1-2H3,(H,22,26)(H,24,27)/b20-18-,25-19+
    MOLECULAR FORMULA
    C21H18N4O3
    CROSS REFERENCES
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    canSAR2080011
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight374.14
    AlogP3.56
    HBond donors4
    HBond acceptors7
    Atoms46
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080011.