Detailed information for compound 1201123

Basic information

Technical information
  • TDR Targets ID: 1201123
  • Name: 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)- N-[(4-propan-2-ylphenyl)methyl]acetamide
  • MW: 391.503 | Formula: C25H29NO3
  • H donors: 0 H acceptors: 1 LogP: 5.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc(cc1)CN(C(=O)COc1cccc(c1C)C)Cc1ccco1)C
  • InChi: 1S/C25H29NO3/c1-18(2)22-12-10-21(11-13-22)15-26(16-23-8-6-14-28-23)25(27)17-29-24-9-5-7-19(3)20(24)4/h5-14,18H,15-17H2,1-4H3
  • InChiKey: SMULJDZIUCTEFW-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(2,3-dimethylphenoxy)-N-(2-furylmethyl)-N-[(4-isopropylphenyl)methyl]acetamide
  • 2-(2,3-dimethylphenoxy)-N-(2-furylmethyl)-N-(4-isopropylbenzyl)acetamide
  • 2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamide
  • NCGC00117351-01
  • D220-0357

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.3266 0.4437
Schistosoma mansoni hypothetical protein 0.0043 0.3266 0.4094
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2825 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2825 0.444
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.4812 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1645 0.1138
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.3226 0.556
Loa Loa (eye worm) hypothetical protein 0.0085 0.9262 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.4812 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.3226 0.556
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3258 0.4427
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1245 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2825 0.444
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.566 0.4979
Loa Loa (eye worm) hypothetical protein 0.0046 0.3679 0.3972
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1245 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1691 0.1267
Echinococcus granulosus zinc finger protein 0.0024 0.0435 0.0592
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.3232 0.6514
Loa Loa (eye worm) hypothetical protein 0.0049 0.4087 0.4413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1245 0.0018
Loa Loa (eye worm) hypothetical protein 0.0041 0.2938 0.3172
Schistosoma mansoni hypothetical protein 0.0025 0.0618 0.0774
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0947 0.1287
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.4812 0.6032
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2938 0.183
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.736 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.3226 0.556
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.4812 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.4812 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.4812 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.3266 0.4094
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0947 0.1287
Schistosoma mansoni zinc finger protein 0.0024 0.0435 0.0546
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.0725 0.0985
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.736 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.4812 0.5196
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.3266 0.4437
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1691 0.1267
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0618 0.0667
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.2092 0.2387
Loa Loa (eye worm) hypothetical protein 0.0052 0.4417 0.4769
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.4812 0.3999
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.566 0.4979
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.3226 0.556
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.4812 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.4812 0.6539
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3258 0.4427
Brugia malayi hypothetical protein 0.0043 0.3266 0.2209
Brugia malayi Bromodomain containing protein 0.0046 0.3667 0.2673
Schistosoma mansoni hypothetical protein 0.0041 0.2938 0.3683
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2825 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1691 0.1267
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1245 0.0018
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.4812 0.6539
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.2825 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0947 0.1188
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.3226 0.556
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.4812 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.4812 1
Loa Loa (eye worm) hypothetical protein 0.006 0.566 0.6111
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0106 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.3678 0.6827
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.4812 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.4812 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.2259 0.2856
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.4812 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.566 0.6111
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2825 0.444
Echinococcus multilocularis zinc finger protein 0.0024 0.0435 0.0592
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2825 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.2825 0.444
Giardia lamblia GTOR 0.0054 0.4812 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.1645 0.1138
Schistosoma mansoni bromodomain containing protein 0.0076 0.7978 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.6681 uM PUBCHEM_BIOASSAY: IN Cell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID493208] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.2809 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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