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canSAR1153875
FEATURES
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NAMES
    SMILES
    C[C@@H]1CC(=O)NN=C1c1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1
    InChI
    InChI=1S/C18H16N4O3/c1-12-9-17(23)20-21-18(12)14-5-7-15(8-6-14)19-11-13-3-2-4-16(10-13)22(24)25/h2-8,10-12H,9H2,1H3,(H,20,23)/b19-11+/t12-/m1/s1
    MOLECULAR FORMULA
    C18H16N4O3
    CROSS REFERENCES
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    canSAR1153875

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.12
    AlogP 3.21
    HBond donors 1
    HBond acceptors 7
    Atoms 41
    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 canSAR1153875.