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canSAR2086602
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NAMES
    SMILES
    COc1cc(CC(O)c2ccc(-c3cccc(C#N)c3)cc2)c([N+](=O)[O-])cc1OC
    InChI
    InChI=1S/C23H20N2O5/c1-29-22-12-19(20(25(27)28)13-23(22)30-2)11-21(26)17-8-6-16(7-9-17)18-5-3-4-15(10-18)14-24/h3-10,12-13,21,26H,11H2,1-2H3
    MOLECULAR FORMULA
    C23H20N2O5
    CROSS REFERENCES
    2086602 logo

    canSAR2086602

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.14
    AlogP 4.43
    HBond donors 1
    HBond acceptors 7
    Atoms 50
    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 canSAR2086602.