canSAR217605
FEATURES
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NAMES
    SMILES
    COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1ccc(N)c(N)c1
    InChI
    InChI=1S/C17H21N3O4/c1-8-13(16(21)23-3)15(10-5-6-11(18)12(19)7-10)14(9(2)20-8)17(22)24-4/h5-7,15,21H,18-19H2,1-4H3/b16-13+
    MOLECULAR FORMULA
    C17H21N3O4
    CROSS REFERENCES
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    canSAR217605
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight331.15
    AlogP2.27
    HBond donors5
    HBond acceptors7
    Atoms45
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR217605.