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canSAR1721186
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NAMES
    SMILES
    COc1ccc2cc(C3(C)NC(=O)N(CC(=O)NCc4ccco4)C3=O)ccc2c1
    InChI
    InChI=1S/C22H21N3O5/c1-22(16-7-5-15-11-17(29-2)8-6-14(15)10-16)20(27)25(21(28)24-22)13-19(26)23-12-18-4-3-9-30-18/h3-11H,12-13H2,1-2H3,(H,23,26)(H,24,28)
    MOLECULAR FORMULA
    C22H21N3O5
    CROSS REFERENCES
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    canSAR1721186

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.15
    AlogP 2.52
    HBond donors 2
    HBond acceptors 8
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1721186.