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canSAR1591946
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NAMES
    SMILES
    COC(=O)C1=CN(c2ccccc2OC)C(N)=C(C#N)C1c1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C21H18N4O5/c1-29-18-9-4-3-8-17(18)24-12-16(21(26)30-2)19(15(11-22)20(24)23)13-6-5-7-14(10-13)25(27)28/h3-10,12,19H,23H2,1-2H3
    MOLECULAR FORMULA
    C21H18N4O5
    CROSS REFERENCES
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    canSAR1591946

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.13
    AlogP 2.96
    HBond donors 2
    HBond acceptors 9
    Atoms 48
    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 canSAR1591946.