Detailed information for compound 828032

Basic information

Technical information
  • TDR Targets ID: 828032
  • Name: 8-(4-ethylbenzoyl)-6-[(2-fluorophenyl)methyl] -2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-on e
  • MW: 443.466 | Formula: C27H22FNO4
  • H donors: 0 H acceptors: 2 LogP: 5.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)C(=O)c1cn(Cc2ccccc2F)c2c(c1=O)cc1c(c2)OCCO1
  • InChi: 1S/C27H22FNO4/c1-2-17-7-9-18(10-8-17)26(30)21-16-29(15-19-5-3-4-6-22(19)28)23-14-25-24(32-11-12-33-25)13-20(23)27(21)31/h3-10,13-14,16H,2,11-12,15H2,1H3
  • InChiKey: WONSHVMFZXMATO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-[(4-ethylphenyl)-oxomethyl]-6-[(2-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
  • 8-(4-ethylbenzoyl)-6-(2-fluorobenzyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
  • 8-(4-ethylphenyl)carbonyl-6-[(2-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one

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
Entamoeba histolytica protein kinase, putative 0.061 0.0915 0.3073
Loa Loa (eye worm) hypothetical protein 0.0261 0.0357 0.1198
Brugia malayi hypothetical protein 0.0219 0.0289 0.0968
Loa Loa (eye worm) hypothetical protein 0.0215 0.0283 0.0948
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0046 0.0012 0.0013
Loa Loa (eye worm) TK/ROR protein kinase 0.0045 0.001 0.0032
Echinococcus multilocularis Immunoglobulin 0.0215 0.0283 0.0405
Echinococcus multilocularis aurora kinase A 0.061 0.0915 0.1309
Schistosoma mansoni titin 0.0044 0.0008 0.0008
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0108 0.0112 0.0376
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0008 0.0011
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0008 0.0008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0012 0.0039
Loa Loa (eye worm) hypothetical protein 0.0047 0.0013 0.004
Plasmodium falciparum serine/threonine protein kinase, putative 0.061 0.0915 1
Trypanosoma brucei aurora B kinase 0.061 0.0915 0.3073
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0039
Loa Loa (eye worm) CAMK protein kinase 0.0044 0.0008 0.0027
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0293 0.0408 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0293 0.0408 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1896 0.2977 0.4259
Schistosoma mansoni cytochrome P450 0.0293 0.0408 0.0408
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0012 0.0039
Schistosoma mansoni hypothetical protein 0.0293 0.0408 0.0408
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.061 0.0915 0.3073
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0121 0.0132 0.0189
Brugia malayi protein unc-22 0.0044 0.0008 0.0027
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1896 0.2977 1
Schistosoma mansoni serine/threonine protein kinase 0.061 0.0915 0.0915
Echinococcus multilocularis neuroglian 0.0239 0.032 0.0458
Onchocerca volvulus Tyrosine kinase homolog 0.1089 0.1684 0.5645
Brugia malayi Cytochrome P450 family protein 0.1141 0.1766 0.5934
Leishmania major cytochrome p450-like protein 0.0293 0.0408 0.1371
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0121 0.0132 0.0189
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.44 0.6989 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.061 0.0915 0.1309
Echinococcus multilocularis peroxidasin 0.0047 0.0013 0.0018
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1304 0.2028 0.6812
Schistosoma mansoni chromatin regulatory protein sir2 0.0108 0.0112 0.0112
Brugia malayi Cytochrome P450 family protein 0.0293 0.0408 0.1369
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0045 0.001 0.0015
Brugia malayi Immunoglobulin I-set domain containing protein 0.005 0.0018 0.0059
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1896 0.2977 1
Trichomonas vaginalis AGC family protein kinase 0.061 0.0915 0.2803
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0238 0.032 0.0457
Schistosoma mansoni septate junction protein 0.0046 0.0012 0.0012
Toxoplasma gondii cytochrome p450 superfamily protein 0.0293 0.0408 0.4461
Onchocerca volvulus Serine\/threonine kinase homolog 0.1896 0.2977 1
Trichomonas vaginalis AGC family protein kinase 0.061 0.0915 0.2803
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0293 0.0408 0.1371
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0046 0.0012 0.0018
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0293 0.0408 0.5
Loa Loa (eye worm) hypothetical protein 0.0215 0.0283 0.0948
Trypanosoma brucei cytochrome P450, putative 0.0479 0.0706 0.2373
Echinococcus granulosus titin 0.0044 0.0008 0.0012
Echinococcus granulosus twitchin 0.0255 0.0347 0.0497
Echinococcus multilocularis chromatin regulatory protein sir2 0.0108 0.0112 0.016
Entamoeba histolytica hypothetical protein 0.0043 0.0008 0.0026
Loa Loa (eye worm) hypothetical protein 0.0219 0.0289 0.0968
Echinococcus multilocularis titin 0.0044 0.0008 0.0012
Trypanosoma cruzi cytochrome P450, putative 0.0479 0.0706 0.2373
Loa Loa (eye worm) hypothetical protein 0.0238 0.032 0.1072
Brugia malayi Immunoglobulin I-set domain containing protein 0.0219 0.0289 0.0968
Schistosoma mansoni tyrosine kinase 0.0121 0.0132 0.0132
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0067 0.0045 0.015
Brugia malayi Immunoglobulin I-set domain containing protein 0.0144 0.0169 0.0566
Echinococcus multilocularis roundabout 2 0.005 0.0018 0.0026
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0293 0.0408 0.1371
Schistosoma mansoni nephrin 0.005 0.0018 0.0018
Echinococcus granulosus defective proboscis extension response 0.0215 0.0283 0.0405
Brugia malayi Immunoglobulin I-set domain containing protein 0.0044 0.0008 0.0027
Trypanosoma brucei polo-like protein kinase 0.1896 0.2977 1
Loa Loa (eye worm) cytochrome P450 family protein 0.1141 0.1766 0.5934
Echinococcus granulosus hemicentin 1 0.0046 0.0012 0.0018
Echinococcus multilocularis Immunoglobulin 0.0215 0.0283 0.0405
Entamoeba histolytica protein kinase domain containing protein 0.061 0.0915 0.3073
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.005 0.0018 0.0018
Schistosoma mansoni vesicular amine transporter 0.0215 0.0283 0.0283
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0215 0.0283 0.0283
Trichomonas vaginalis CAMK family protein kinase 0.1896 0.2977 1
Loa Loa (eye worm) cytochrome P450 0.0293 0.0408 0.1369
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0293 0.0408 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0293 0.0408 0.5
Schistosoma mansoni nephrin 0.0242 0.0326 0.0326
Leishmania major cytochrome p450-like protein 0.0293 0.0408 0.1371
Echinococcus multilocularis neuroglian 0.005 0.0018 0.0026
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.005 0.0018 0.0026
Loa Loa (eye worm) hypothetical protein 0.0186 0.0236 0.0792
Schistosoma mansoni cell adhesion molecule 0.005 0.0018 0.0018
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0293 0.0408 0.1371
Entamoeba histolytica hypothetical protein 0.0043 0.0008 0.0026
Brugia malayi Cytochrome P450 family protein 0.0479 0.0706 0.2371
Trypanosoma cruzi cytochrome P450, putative 0.0479 0.0706 0.2373
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0108 0.0112 0.0376
Entamoeba histolytica protein kinase , putative 0.061 0.0915 0.3073
Schistosoma mansoni cell adhesion molecule 0.0242 0.0325 0.0325
Trichomonas vaginalis CAMK family protein kinase 0.1896 0.2977 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0012 0.0039
Echinococcus granulosus roundabout 2 0.005 0.0018 0.0026
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.005 0.0018 0.0059
Brugia malayi cytochrome P450 0.0293 0.0408 0.1369
Entamoeba histolytica hypothetical protein 0.0043 0.0008 0.0026
Brugia malayi Immunoglobulin I-set domain containing protein 0.1304 0.2028 0.6812
Trichomonas vaginalis CAMK family protein kinase 0.1896 0.2977 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.0289 0.0968
Schistosoma mansoni tyrosine kinase 0.0068 0.0047 0.0047
Loa Loa (eye worm) cytochrome P450 family protein 0.0479 0.0706 0.2371
Echinococcus multilocularis twitchin 0.004 0.0003 0.0004
Echinococcus granulosus neuroglian 0.005 0.0018 0.0026
Brugia malayi Peroxidasin 0.0047 0.0013 0.004
Echinococcus multilocularis roundabout 2 0.0265 0.0363 0.0519
Toxoplasma gondii aurora kinase 0.061 0.0915 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0039
Trichomonas vaginalis CAMK family protein kinase 0.1896 0.2977 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0479 0.0706 0.2371
Echinococcus granulosus peroxidasin 0.0047 0.0013 0.0018
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0293 0.0408 0.5
Brugia malayi Cytochrome P450 family protein 0.0479 0.0706 0.2371
Brugia malayi serine/threonine-protein kinase plk-2 0.1896 0.2977 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0293 0.0408 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0293 0.0408 0.5
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0046 0.0012 0.0012
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.061 0.0915 0.3073
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0293 0.0408 0.1371
Echinococcus granulosus roundabout 2 0.0265 0.0363 0.0519
Echinococcus granulosus Immunoglobulin 0.0215 0.0283 0.0405
Brugia malayi serine/threonine-protein kinase 6 0.061 0.0915 0.3072
Mycobacterium leprae Conserved hypothetical protein 0.0293 0.0408 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0293 0.0408 0.5
Schistosoma mansoni protein kinase 0.061 0.0915 0.0915
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0293 0.0408 0.5
Echinococcus granulosus aurora kinase A 0.061 0.0915 0.1309
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0039
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0108 0.0112 0.0376
Echinococcus multilocularis hemicentin 1 0.0046 0.0012 0.0018
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0012 0.0039
Entamoeba histolytica protein kinase, putative 0.061 0.0915 0.3073
Brugia malayi transcriptional regulator, Sir2 family protein 0.0108 0.0112 0.0374
Schistosoma mansoni serine/threonine protein kinase 0.1896 0.2977 0.2977
Brugia malayi Immunoglobulin I-set domain containing protein 0.005 0.0018 0.0059
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0012 0.0039
Loa Loa (eye worm) hypothetical protein 0.0219 0.0289 0.0968
Loa Loa (eye worm) transcriptional regulator 0.0108 0.0112 0.0374
Trichomonas vaginalis CAMK family protein kinase 0.1896 0.2977 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0479 0.0706 1
Loa Loa (eye worm) hypothetical protein 0.0319 0.0449 0.1505
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0012 0.0039
Brugia malayi Prion-like- 0.0046 0.0012 0.0039
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0215 0.0283 0.0405
Echinococcus granulosus neuroglian 0.0239 0.032 0.0458
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0044 0.0008 0.0027
Schistosoma mansoni neuroglian 0.005 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.005 0.0018 0.0059
Trichomonas vaginalis CAMK family protein kinase 0.1896 0.2977 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.005 0.0018 0.0026
Loa Loa (eye worm) AUR protein kinase 0.061 0.0915 0.3072
Brugia malayi serine/threonine protein kinase 6 0.061 0.0915 0.3072
Loa Loa (eye worm) hypothetical protein 0.0261 0.0357 0.1198
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0293 0.0408 0.5
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0293 0.0408 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.005 0.0018 0.0026
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0008 0.0008
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0293 0.0408 0.5
Loa Loa (eye worm) AUR protein kinase 0.061 0.0915 0.3072
Echinococcus multilocularis roundabout 2 0.005 0.0018 0.0026
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0293 0.0408 0.5
Echinococcus granulosus chromatin regulatory protein sir2 0.0108 0.0112 0.016
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0293 0.0408 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.005 0.0018 0.0026
Trypanosoma cruzi polo-like protein kinase, putative 0.1896 0.2977 1
Mycobacterium leprae putative cytochrome p450 0.0293 0.0408 0.5
Brugia malayi hypothetical protein 0.0319 0.0449 0.1505
Schistosoma mansoni septate junction protein 0.0046 0.0012 0.0012
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0012 0.0039
Schistosoma mansoni hypothetical protein 0.0043 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0039
Trichomonas vaginalis CAMK family protein kinase 0.1896 0.2977 1
Schistosoma mansoni roundabout 0.0046 0.0012 0.0012
Leishmania major protein kinase, putative 0.061 0.0915 0.3073
Loa Loa (eye worm) hypothetical protein 0.0215 0.0283 0.0949
Giardia lamblia Aurora kinase 0.061 0.0915 0.2803
Echinococcus multilocularis hemicentin 1 0.0046 0.0012 0.0018
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0293 0.0408 0.5
Echinococcus granulosus contactin 0.005 0.0018 0.0026
Loa Loa (eye worm) CYP4Cod1 0.0479 0.0706 0.2371
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0293 0.0408 0.5
Schistosoma mansoni cell adhesion molecule 0.0046 0.0012 0.0012
Leishmania major cytochrome p450-like protein 0.0479 0.0706 0.2373
Echinococcus multilocularis lachesin 0.0046 0.0012 0.0018
Onchocerca volvulus 0.1044 0.1612 0.5401
Echinococcus multilocularis tyrosine protein kinase otk 0.0046 0.0012 0.0018
Giardia lamblia Kinase, PLK 0.1896 0.2977 1
Loa Loa (eye worm) TK protein kinase 0.0144 0.0169 0.0566
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0108 0.0112 0.0376
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0215 0.0283 0.0283
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0293 0.0408 0.1371
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0039
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0108 0.0112 0.0376
Echinococcus granulosus tyrosine protein kinase otk 0.0046 0.0012 0.0018
Leishmania major silent information regulator 2, putative 0.0108 0.0112 0.0376
Echinococcus granulosus serine:threonine protein kinase 12 B 0.061 0.0915 0.1309
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0012 0.0039
Entamoeba histolytica hypothetical protein 0.0043 0.0008 0.0026
Trypanosoma cruzi polo-like protein kinase, putative 0.1896 0.2977 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.1896 0.2977 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0108 0.0112 0.016
Trypanosoma cruzi aurora B kinase, putative 0.061 0.0915 0.3073
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1896 0.2977 0.4259
Echinococcus multilocularis contactin neuroglian septate junction protein 0.005 0.0018 0.0026
Trichomonas vaginalis AGC family protein kinase 0.061 0.0915 0.2803
Schistosoma mansoni chromatin regulatory protein sir2 0.0108 0.0112 0.0112
Brugia malayi Fibronectin type III domain containing protein 0.0219 0.0289 0.0968
Brugia malayi Immunoglobulin I-set domain containing protein 0.005 0.0018 0.0059
Echinococcus granulosus lachesin 0.0046 0.0012 0.0018
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.061 0.0915 0.3073
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0008 0.0011
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0293 0.0408 0.5
Schistosoma mansoni cell adhesion molecule 0.005 0.0018 0.0018
Echinococcus multilocularis 0.0293 0.0408 0.0584
Plasmodium vivax serine/threonine protein kinase 6, putative 0.061 0.0915 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0039
Schistosoma mansoni serine/threonine protein kinase 0.004 0.0003 0.0003
Echinococcus granulosus roundabout 2 0.005 0.0018 0.0026
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.44 0.6989 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0108 0.0112 0.0112
Brugia malayi hypothetical protein 0.0043 0.0008 0.0024
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0293 0.0408 0.5
Loa Loa (eye worm) AUR protein kinase 0.061 0.0915 0.3072
Brugia malayi serine/threonine kinase 12 0.061 0.0915 0.3072
Echinococcus granulosus titin 0.0044 0.0008 0.0012
Echinococcus granulosus cytochrome P450 2K1 0.0293 0.0408 0.0584
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0121 0.0132 0.0189
Schistosoma mansoni titin 0.0046 0.0012 0.0012
Echinococcus granulosus fibroblast growth factor receptor 4 0.0121 0.0132 0.0189
Trichomonas vaginalis AGC family protein kinase 0.061 0.0915 0.2803
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0045 0.001 0.0015
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0108 0.0112 0.016
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0293 0.0408 0.5

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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