canSAR1601785
FEATURES
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NAMES
    SMILES
    COC(=O)C(CCCCNC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C21H22N4O8/c1-33-21(28)18(23-20(27)15-7-11-17(12-8-15)25(31)32)4-2-3-13-22-19(26)14-5-9-16(10-6-14)24(29)30/h5-12,18H,2-4,13H2,1H3,(H,22,26)(H,23,27)
    MOLECULAR FORMULA
    C21H22N4O8
    CROSS REFERENCES
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    canSAR1601785
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight458.14
    AlogP2.37
    HBond donors2
    HBond acceptors12
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1601785.