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canSAR848429
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NAMES
    SMILES
    CCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C23H21N5O5/c1-3-33-22(29)19-14(2)24-23(30)25-21(19)18-13-27(16-7-5-4-6-8-16)26-20(18)15-9-11-17(12-10-15)28(31)32/h4-13,21H,3H2,1-2H3,(H2,24,25,30)
    MOLECULAR FORMULA
    C23H21N5O5
    CROSS REFERENCES
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    canSAR848429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.15
    AlogP 3.64
    HBond donors 2
    HBond acceptors 10
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR848429.