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canSAR2021625
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NAMES
    SMILES
    CN(C)c1cc(Nc2ccc(O)cc2)c([N+](=O)[O-])c2nonc12
    InChI
    InChI=1S/C14H13N5O4/c1-18(2)11-7-10(15-8-3-5-9(20)6-4-8)14(19(21)22)13-12(11)16-23-17-13/h3-7,15,20H,1-2H3
    MOLECULAR FORMULA
    C14H13N5O4
    CROSS REFERENCES
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    canSAR2021625

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 315.10
    AlogP 2.65
    HBond donors 2
    HBond acceptors 9
    Atoms 36
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021625.