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canSAR1428567
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NAMES
    SMILES
    COc1ccc(/C(O)=C\C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
    InChI
    InChI=1S/C22H21N3O5/c1-14-20(22(29)25(24(14)2)16-7-5-4-6-8-16)23-21(28)19(27)13-18(26)15-9-11-17(30-3)12-10-15/h4-13,26H,1-3H3,(H,23,28)/b18-13+
    MOLECULAR FORMULA
    C22H21N3O5
    CROSS REFERENCES
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    canSAR1428567

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.15
    AlogP 2.60
    HBond donors 2
    HBond acceptors 8
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1428567.