canSAR1503453
FEATURES
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NAMES
    SMILES
    CCOC(=O)COc1ccccc1/C=N/Nc1nnc2c3ccccc3n(C)c2n1
    InChI
    InChI=1S/C21H20N6O3/c1-3-29-18(28)13-30-17-11-7-4-8-14(17)12-22-25-21-23-20-19(24-26-21)15-9-5-6-10-16(15)27(20)2/h4-12H,3,13H2,1-2H3,(H,23,25,26)/b22-12+
    MOLECULAR FORMULA
    C21H20N6O3
    CROSS REFERENCES
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    canSAR1503453
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight404.16
    AlogP2.90
    HBond donors1
    HBond acceptors9
    Atoms50
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503453.