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canSAR1595246
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NAMES
    SMILES
    O=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)C(O)(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C21H16ClN3O5/c22-17-11-14(19(26)18(12-17)25(29)30)13-23-24-20(27)21(28,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,26,28H,(H,24,27)
    MOLECULAR FORMULA
    C21H16ClN3O5
    CROSS REFERENCES
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    canSAR1595246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.08
    AlogP 3.34
    HBond donors 3
    HBond acceptors 8
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1595246.