Detailed information for compound 1171836

Basic information

Technical information
  • TDR Targets ID: 1171836
  • Name: 4-[2-(4-fluorophenoxy)ethyl]-1-(phenylmethyl) piperidine
  • MW: 313.409 | Formula: C20H24FNO
  • H donors: 0 H acceptors: 0 LogP: 4.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)OCCC1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C20H24FNO/c21-19-6-8-20(9-7-19)23-15-12-17-10-13-22(14-11-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2
  • InChiKey: IRGCLOHNAHIYPC-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(benzyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.1149 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0471 0.0471
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0133 0.0546
Loa Loa (eye worm) intermediate filament protein 0.0031 0.1347 0.1347
Plasmodium falciparum cysteine repeat modular protein 1 0.002 0.078 0.0655
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.1149 0.103
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0133 0.0546
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0324 0.2086
Loa Loa (eye worm) hypothetical protein 0.0006 0.0035 0.0035
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.1149 1
Loa Loa (eye worm) hypothetical protein 0.002 0.078 0.078
Schistosoma mansoni lamin 0.0031 0.1347 0.3954
Loa Loa (eye worm) hypothetical protein 0.0015 0.05 0.05
Loa Loa (eye worm) hypothetical protein 0.0012 0.0324 0.0324
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0133 0.0546
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0012 0.0324 0.0324
Onchocerca volvulus 0.0008 0.0133 0.0916
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0324 0.0324
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0083 0.41 0.41
Brugia malayi steroid hormone receptor 0.0012 0.0324 0.0324
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.1149 1
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0035 0.0035
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0008 0.0133 0.0857
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0035 0.0223
Schistosoma mansoni cpg binding protein 0.0033 0.1453 0.4266
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.078 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0035 0.0102
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0324 0.2086
Brugia malayi AMP-binding enzyme family protein 0.0027 0.1149 0.1149
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0324 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0324 0.0324
Mycobacterium ulcerans hypothetical protein 0.0027 0.1149 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0324 0.2086
Schistosoma mansoni lamin 0.0031 0.1347 0.3954
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0133 0.5
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0195 1 1
Echinococcus multilocularis musashi 0.0031 0.1347 0.8676
Onchocerca volvulus 0.0008 0.0133 0.0916
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0324 0.0951
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.1149 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0727 0.6071
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0324 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0324 0.0324
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0324 0.0324
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0324 0.0951
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0727 0.6071
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0786 0.0661
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0324 0.0324
Echinococcus granulosus intermediate filament protein 0.0031 0.1347 0.8676
Loa Loa (eye worm) histone methyltransferase 0.001 0.025 0.025
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.1149 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0324 0.0324
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0324 0.2086
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0324 0.0951
Brugia malayi nuclear receptor RXR 0.0006 0.0035 0.0035
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0008 0.0133 0.0857
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0133 0.0133
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0035 0.0102
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0727 0.6071
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0324 0.2086
Brugia malayi Protein kinase domain containing protein 0.002 0.078 0.078
Echinococcus multilocularis tissue type plasminogen activator 0.002 0.078 0.5022
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0324 0.0324
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0133 0.0546
Loa Loa (eye worm) oxidoreductase 0.0008 0.0133 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0324 0.0324
Trichomonas vaginalis conserved hypothetical protein 0.0195 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0324 0.0324
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0195 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0144 0.0925
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0324 0.0951
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0324 0.0324
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0144 0.0925
Loa Loa (eye worm) hypothetical protein 0.002 0.0786 0.0786
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0133 0.0028
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.1149 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0324 0.2086
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.1149 0.103
Loa Loa (eye worm) hypothetical protein 0.002 0.0786 0.0786
Loa Loa (eye worm) hypothetical protein 0.0027 0.1149 0.1149
Loa Loa (eye worm) hypothetical protein 0.002 0.0786 0.0786
Echinococcus multilocularis lamin 0.0031 0.1347 0.8676
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.1347 0.1347
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0195 1 1
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0008 0.0133 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0133 0.0546
Loa Loa (eye worm) hypothetical protein 0.0014 0.0471 0.0471
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0144 0.0422
Onchocerca volvulus 0.0012 0.0324 0.2229
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0324 0.0324
Schistosoma mansoni cpg binding protein 0.0035 0.1553 0.4557
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.0133 0.0391
Schistosoma mansoni intermediate filament proteins 0.0031 0.1347 0.3954
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0324 0.2086
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0133 0.0546
Onchocerca volvulus 0.0031 0.1347 0.9269
Loa Loa (eye worm) hypothetical protein 0.0008 0.0133 0.0133
Brugia malayi nuclear hormone receptor 0.0012 0.0324 0.0324
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0133 0.0133
Onchocerca volvulus 0.002 0.078 0.5366
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0324 0.0324
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0324 0.2086
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.025 0.1609
Brugia malayi AMP-binding enzyme family protein 0.0027 0.1149 0.1149
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0324 0.2229
Onchocerca volvulus 0.0027 0.1149 0.7908
Echinococcus multilocularis lamin dm0 0.0031 0.1347 0.8676
Echinococcus granulosus lamin 0.0031 0.1347 0.8676
Leishmania major hypothetical protein, conserved 0.002 0.078 0.0655
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0324 0.2086
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0324 0.2086
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0324 0.2086
Brugia malayi ecdysteroid receptor 0.0012 0.0324 0.0324
Brugia malayi AMP-binding enzyme family protein 0.0027 0.1149 0.1149
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0133 0.0546
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0324 0.0951
Giardia lamblia Macrophage migration inhibitory factor 0.0195 1 0.5
Schistosoma mansoni coup transcription factor 0.0012 0.0324 0.0951
Schistosoma mansoni cpg binding protein 0.0035 0.1553 0.4557
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.003 0.1317 0.1317
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0133 0.0133
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.1149 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0027 0.1149 0.1149
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0006 0.0035 0.0035
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0144 0.0925
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0324 0.0951
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0324 0.0324
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0324 0.2086
Loa Loa (eye worm) hypothetical protein 0.0012 0.0324 0.0324
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0144 0.0925
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0133 0.0028
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0324 0.2229
Echinococcus granulosus lamin dm0 0.0031 0.1347 0.8676
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0133 0.0133
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0195 1 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0133 0.0546
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0324 0.0324
Leishmania major macrophage migration inhibitory factor-like protein 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1149 0.1149
Echinococcus granulosus tissue type plasminogen activator 0.002 0.078 0.5022
Brugia malayi CXXC zinc finger family protein 0.0033 0.1453 0.1453
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.3012 0.2918
Onchocerca volvulus 0.0008 0.0133 0.0916
Plasmodium vivax cysteine repeat modular protein 1, putative 0.002 0.078 0.0655
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0008 0.0133 0.0133
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0324 0.2086
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.1149 1
Onchocerca volvulus 0.0008 0.0133 0.0916
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.05 0.3223
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0324 0.0951
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0035 0.0035
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.1149 0.103
Loa Loa (eye worm) hypothetical protein 0.002 0.0786 0.0786
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.1149 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0195 1 1
Brugia malayi hypothetical protein 0.0006 0.0035 0.0035
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0324 0.0951
Plasmodium falciparum macrophage migration inhibitory factor 0.0195 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.1149 1
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.1347 0.1347
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0035 0.0223
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0786 0.0661
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0786 0.5
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0133 0.0546
Toxoplasma gondii kringle domain-containing protein 0.002 0.078 0.0655
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0324 0.2229
Schistosoma mansoni hypothetical protein 0.002 0.078 0.2289
Onchocerca volvulus 0.0031 0.1347 0.9269
Onchocerca volvulus 0.0033 0.1453 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0324 0.0324
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0035 0.0035
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0324 0.0951
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0324 0.2086
Brugia malayi hypothetical protein 0.0006 0.0035 0.0035
Brugia malayi Kringle domain containing protein 0.002 0.078 0.078
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0727 0.6071
Loa Loa (eye worm) hypothetical protein 0.0008 0.0133 0.0133
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0324 0.2086
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0324 0.0951
Brugia malayi intermediate filament protein 0.0031 0.1347 0.1347
Loa Loa (eye worm) hypothetical protein 0.0012 0.0324 0.0324
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0324 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0324 0.0324
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0324 0.0951
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.1149 0.103
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.1453 0.1453
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0587 0.0587
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.025 0.1609
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0133 0.0546
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0786 0.6421
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0324 0.2086
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0008 0.0133 0.0133
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0324 0.0951
Loa Loa (eye worm) hypothetical protein 0.0006 0.0035 0.0035
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0786 0.6617
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.1149 0.103
Loa Loa (eye worm) hypothetical protein 0.002 0.0786 0.0786
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0587 0.0587
Echinococcus granulosus cpg binding protein 0.0035 0.1553 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.1347 0.1347
Loa Loa (eye worm) hypothetical protein 0.0012 0.0324 0.0324
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0133 0.0546
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0324 0.0324
Leishmania major macrophage migration inhibitory factor-like protein 0.0195 1 1
Echinococcus multilocularis cpg binding protein 0.0035 0.1553 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0324 0.2086
Loa Loa (eye worm) hypothetical protein 0.0012 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0012 0.0324 0.0324
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0133 0.0133
Loa Loa (eye worm) TK/ROR protein kinase 0.002 0.078 0.078
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0083 0.41 0.41
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.1149 1
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0243 0.0243
Loa Loa (eye worm) hypothetical protein 0.0006 0.0035 0.0035
Schistosoma mansoni mixed-lineage leukemia protein mll 0.007 0.3407 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.05 0.3223
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0324 0.0324
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.1149 0.103
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0324 0.0324
Brugia malayi nuclear receptor NHR-88 0.0012 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0006 0.0035 0.0035
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0324 0.2086

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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