canSAR546460
FEATURES
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NAMES
    SMILES
    N/C(=N\O)c1ccc(OCCCc2c[nH]cn2)cc1.O=C(O)/C=C\C(=O)O
    InChI
    InChI=1S/C13H16N4O2.C4H4O4/c14-13(17-18)10-3-5-12(6-4-10)19-7-1-2-11-8-15-9-16-11;5-3(6)1-2-4(7)8/h3-6,8-9,18H,1-2,7H2,(H2,14,17)(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
    MOLECULAR FORMULA
    C17H20N4O6
    CROSS REFERENCES
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    canSAR546460
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight376.14
    AlogP1.23
    HBond donors6
    HBond acceptors10
    Atoms47
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546460.