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canSAR1769940
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NAMES
    SMILES
    Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])cc2)n1
    InChI
    InChI=1S/C20H17ClN4O5/c1-12-9-13(2)24(23-12)16-6-3-14(4-7-16)20(27)30-11-19(26)22-17-10-15(21)5-8-18(17)25(28)29/h3-10H,11H2,1-2H3,(H,22,26)
    MOLECULAR FORMULA
    C20H17ClN4O5
    CROSS REFERENCES
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    canSAR1769940

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.09
    AlogP 3.85
    HBond donors 1
    HBond acceptors 9
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1769940.