Detailed information for compound 983498

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.239 | Formula: C18H17Cl2NO2
  • H donors: 1 H acceptors: 1 LogP: 4.67 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)COc1ccc(cc1Cl)C(=O)NCC1CC1
  • InChi: 1S/C18H17Cl2NO2/c19-15-3-1-2-13(8-15)11-23-17-7-6-14(9-16(17)20)18(22)21-10-12-4-5-12/h1-3,6-9,12H,4-5,10-11H2,(H,21,22)
  • InChiKey: RJXJAKAWVVYSQN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0451 0.5089 1
Schistosoma mansoni jumonji domain containing protein 0.0207 0.2219 0.2343
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0022 0.0035 0.0023
Loa Loa (eye worm) hypothetical protein 0.0066 0.0549 0.1054
Loa Loa (eye worm) hypothetical protein 0.0113 0.1103 0.2145
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0182 0.1917 0.2023
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0285 0.0285
Echinococcus multilocularis jumonji domain containing 1A 0.0034 0.0178 0.0175
Echinococcus granulosus geminin 0.0175 0.1841 0.1941
Schistosoma mansoni hypothetical protein 0.0175 0.1841 0.1941
Loa Loa (eye worm) hypothetical protein 0.0034 0.0178 0.0324
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0867 1 1
Echinococcus granulosus peregrin 0.0061 0.0492 0.0509
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0282 0.0375
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0514 0.237
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0034 0.0178 0.0294
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0096 0.0908 0.1658
Leishmania major C-8 sterol isomerase-like protein 0.0374 0.4177 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0043 0.0281 0.0283
Loa Loa (eye worm) latrophilin receptor protein 2 0.003 0.0132 0.0232
Schistosoma mansoni vesicular acetylcholine transporter 0.0451 0.5089 0.5392
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0451 0.5089 1
Plasmodium vivax SET domain protein, putative 0.0033 0.0159 0.2797
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0561 0.0581
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0282 0.0498
Echinococcus multilocularis vesicular acetylcholine transporter 0.0451 0.5089 0.5392
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0034 0.0034
Brugia malayi chromobox protein homolog 3 0.004 0.0249 0.0436
Loa Loa (eye worm) hypothetical protein 0.0374 0.4177 0.8204
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0623 0.12
Trypanosoma cruzi ISWI complex protein 0.0031 0.0133 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0867 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0867 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0159 0.0173
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0514 0.0531
Echinococcus granulosus lysine specific demethylase 5A 0.0138 0.1397 0.1469
Schistosoma mansoni hypothetical protein 0.003 0.0132 0.0125
Brugia malayi jmjC domain containing protein 0.0138 0.1397 0.2564
Brugia malayi Pre-SET motif family protein 0.0217 0.2335 0.4303
Schistosoma mansoni bromodomain containing protein 0.0131 0.1323 0.1391
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0031 0.0139 0.0139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0296 0.03
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0034 0.0034
Treponema pallidum fructose-bisphosphate aldolase 0.0867 1 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0116 0.1144 0.2227
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0623 0.0623
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0159 0.0154
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0124 0.1239 0.1301
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0249 0.0249
Plasmodium falciparum JmjC domain-containing protein, putative 0.0034 0.0178 0.3303
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.0189 0.0346
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0178 0.0324
Loa Loa (eye worm) hypothetical protein 0.0096 0.0908 0.1762
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0296 0.03
Schistosoma mansoni zinc finger protein 0.0044 0.0292 0.0295
Brugia malayi Heterochromatin protein 1 0.0072 0.0623 0.1129
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0175 0.0171
Echinococcus granulosus mixed lineage leukemia protein mll 0.0022 0.0035 0.0023
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0374 0.4177 0.7718
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0867 1 1
Echinococcus granulosus chromobox protein 1 0.0072 0.0623 0.0647
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0867 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0133 0.0127
Schistosoma mansoni phosphatidylserine receptor 0.0034 0.0178 0.0175
Echinococcus granulosus fetal alzheimer antigen falz 0.005 0.0362 0.0369
Echinococcus granulosus JmjC domain containing protein 4 0.0034 0.0178 0.0175
Brugia malayi jmjC domain containing protein 0.0034 0.0178 0.0305
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0296 0.03
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.003 0.0132 0.0218
Schistosoma mansoni jumonji/arid domain-containing protein 0.0138 0.1397 0.1469
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0296 0.0523
Brugia malayi Latrophilin receptor protein 2 0.003 0.0132 0.0218
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0561 0.0581
Onchocerca volvulus 0.0247 0.2686 0.5138
Loa Loa (eye worm) hypothetical protein 0.009 0.0836 0.162
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.2335 0.4573
Plasmodium vivax hypothetical protein, conserved 0.0056 0.0437 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0249 0.0463
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0034 0.0178 0.0294
Schistosoma mansoni hypothetical protein 0.003 0.0132 0.0125
Brugia malayi Bromodomain containing protein 0.0077 0.0676 0.1228
Plasmodium vivax JmjC domain containing protein 0.0034 0.0178 0.3303
Trichomonas vaginalis set domain proteins, putative 0.0247 0.2686 0.2686
Echinococcus granulosus zinc finger protein 0.0044 0.0292 0.0295
Brugia malayi Serotonin receptor 0.0478 0.5408 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0031 0.0139 0.0139
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0031 0.0139 0.0139
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0031 0.0139 0.0139
Schistosoma mansoni hypothetical protein 0.003 0.0132 0.0125
Echinococcus granulosus GPCR family 2 0.003 0.0132 0.0125
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0031 0.0139 0.0139
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0159 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.011 0.011
Brugia malayi jmjC domain containing protein 0.0034 0.0178 0.0305
Schistosoma mansoni phd/f-box containing protein 0.0034 0.0178 0.0175
Brugia malayi Calcitonin receptor-like protein seb-1 0.0096 0.0908 0.1658
Echinococcus granulosus lysine specific demethylase 6a 0.0034 0.0178 0.0175
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0031 0.0139 0.0139
Echinococcus multilocularis jumonji domain containing protein 0.0078 0.0697 0.0726
Schistosoma mansoni chromobox protein 0.0072 0.0623 0.0647
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.062 0.0644
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0031 0.0139 0.0139
Brugia malayi PHD-finger family protein 0.0055 0.0418 0.0748
Schistosoma mansoni zinc finger protein 0.0031 0.0133 0.0127
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0424 0.4769 1
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0285 0.0285
Echinococcus granulosus dna polymerase eta 0.0043 0.0282 0.0285
Echinococcus granulosus phd:f box containing protein 0.0034 0.0178 0.0175
Echinococcus multilocularis zinc finger protein 0.0044 0.0292 0.0295
Echinococcus granulosus dnaJ subfamily B 0.0819 0.9425 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0783 0.9011 0.956
Loa Loa (eye worm) hypothetical protein 0.0191 0.2024 0.3961
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0514 0.0531
Echinococcus multilocularis JmjC domain containing protein 4 0.0034 0.0178 0.0175
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0296 0.03
Echinococcus granulosus PHD finger protein rhinoceros 0.0056 0.0437 0.0449
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0123 0.0116
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0178 0.0117
Toxoplasma gondii PHD-finger domain-containing protein 0.0056 0.0437 0.1894
Brugia malayi Pre-SET motif family protein 0.0033 0.0159 0.0268
Loa Loa (eye worm) CXXC zinc finger family protein 0.0085 0.0777 0.1504
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0067 0.0561 0.0581
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0296 0.03
Brugia malayi vesicular acetylcholine transporter unc-17 0.0451 0.5089 0.9408
Schistosoma mansoni cpg binding protein 0.0085 0.0777 0.0811
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0034 0.0178 0.0111
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0056 0.0437 0.0449
Echinococcus multilocularis dna polymerase eta 0.0043 0.0282 0.0285
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0296 0.0556
Brugia malayi PHD-finger family protein 0.0027 0.0092 0.0144
Loa Loa (eye worm) hypothetical protein 0.0077 0.0678 0.1308
Schistosoma mansoni protein phosphatase 2C 0.0034 0.0178 0.0175
Brugia malayi PHD-finger family protein 0.0056 0.0437 0.0784
Loa Loa (eye worm) hypothetical protein 0.0056 0.0437 0.0833
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0096 0.0908 0.1762
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0514 0.0531
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0043 0.0281 0.0283
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0178 0.0324
Schistosoma mansoni jumonji/arid domain-containing protein 0.0138 0.1397 0.1469
Echinococcus granulosus histone lysine methyltransferase setb 0.0067 0.0561 0.0581
Echinococcus granulosus jumonji domain containing 1A 0.0034 0.0178 0.0175
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.005 0.0362 0.0369
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0028 0.0097 0.0088
Schistosoma mansoni hypothetical protein 0.0056 0.0437 0.0449
Brugia malayi jmjC domain containing protein 0.0034 0.0178 0.0305
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0249 0.0249
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0867 1 1
Schistosoma mansoni hypothetical protein 0.0066 0.0549 0.0568
Trypanosoma brucei C-8 sterol isomerase, putative 0.0374 0.4177 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0249 0.0208
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0031 0.0139 0.0139
Schistosoma mansoni cpg binding protein 0.0094 0.088 0.092
Brugia malayi F/Y-rich N-terminus family protein 0.0049 0.0355 0.0632
Echinococcus multilocularis lysine specific demethylase 5A 0.0129 0.1294 0.1361
Leishmania major hypothetical protein, conserved 0.0031 0.0133 0.0006
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0374 0.4177 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0056 0.0437 0.1894
Loa Loa (eye worm) hypothetical protein 0.003 0.0132 0.0232
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0041 0.0252 0.0254
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0178 0.0117
Loa Loa (eye worm) jmjC domain-containing protein 0.0138 0.1397 0.2725
Loa Loa (eye worm) PHD-finger family protein 0.0056 0.0437 0.0833
Echinococcus granulosus jumonji domain containing protein 0.0078 0.0697 0.0726
Echinococcus multilocularis phd:f box containing protein 0.0034 0.0178 0.0175
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0623 0.0623
Echinococcus multilocularis chromobox protein 1 0.0072 0.0623 0.0647
Brugia malayi jmjC domain containing protein 0.0034 0.0178 0.0305
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.0282 0.0369
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0549 0.0992
Brugia malayi jmjC domain containing protein 0.0245 0.2666 0.4917
Brugia malayi Bromodomain containing protein 0.0061 0.0492 0.0887
Brugia malayi CXXC zinc finger family protein 0.0085 0.0777 0.1415
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0285 0.0282
Echinococcus multilocularis PHD finger protein rhinoceros 0.0056 0.0437 0.0449
Toxoplasma gondii histone lysine methyltransferase SET1 0.0167 0.1746 1
Schistosoma mansoni hypothetical protein 0.0041 0.0259 0.0261
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0175 0.0171
Echinococcus granulosus chromobox protein 1 0.0072 0.0623 0.0647
Echinococcus granulosus vesicular acetylcholine transporter 0.0451 0.5089 0.5392
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0514 0.0946
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.062 0.0644
Loa Loa (eye worm) hypothetical protein 0.0067 0.0561 0.1078
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0028 0.0097 0.0088
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.003 0.0132 0.0125
Echinococcus multilocularis fetal alzheimer antigen, falz 0.005 0.0362 0.0369
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0245 0.2666 0.2818
Echinococcus multilocularis peregrin 0.0061 0.0492 0.0509
Schistosoma mansoni DNA polymerase eta 0.0043 0.0282 0.0285
Loa Loa (eye worm) hypothetical protein 0.0082 0.0734 0.1418
Onchocerca volvulus 0.0045 0.0298 0.0307
Echinococcus multilocularis GPCR, family 2 0.003 0.0132 0.0125
Trypanosoma cruzi ISWI complex protein 0.0031 0.0133 0.0006
Schistosoma mansoni hypothetical protein 0.0819 0.9425 1
Schistosoma mansoni chromobox protein 0.0072 0.0623 0.0647
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0867 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0296 0.03
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0022 0.0035 0.0023
Loa Loa (eye worm) hypothetical protein 0.0043 0.0282 0.0529
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.003 0.0132 0.0125
Leishmania major DNA polymerase eta, putative 0.0043 0.0282 0.0375
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0017 0.0017
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0259 0.0484
Onchocerca volvulus 0.0085 0.0777 0.1277
Echinococcus multilocularis lysine specific demethylase 6a 0.0034 0.0178 0.0175
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0175 0.0171
Schistosoma mansoni cpg binding protein 0.0094 0.088 0.092
Loa Loa (eye worm) hypothetical protein 0.0032 0.0146 0.026
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0514 0.0531
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0022 0.0035 0.0023
Giardia lamblia Fructose-bisphosphate aldolase 0.0867 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0045 0.0298 0.0302
Schistosoma mansoni jumonji domain containing protein 0.0034 0.0178 0.0175
Schistosoma mansoni hypothetical protein 0.0175 0.1841 0.1941
Loa Loa (eye worm) hypothetical protein 0.0142 0.1441 0.2813
Plasmodium falciparum phd finger protein, putative 0.0056 0.0437 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.011 0.011
Echinococcus multilocularis dnaJ subfamily B 0.0819 0.9425 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.003 0.0132 0.0125
Leishmania major hypothetical protein, conserved 0.0034 0.0178 0.0117
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0867 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0867 1 1
Echinococcus multilocularis cpg binding protein 0.0094 0.088 0.092
Echinococcus multilocularis chromobox protein 1 0.0072 0.0623 0.0647
Schistosoma mansoni hypothetical protein 0.003 0.0132 0.0125
Loa Loa (eye worm) histone methyltransferase 0.0028 0.0097 0.0163
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0175 0.0171
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.003 0.0132 0.0125
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0034 0.0178 0.0175
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0424 0.4769 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0178 0.0324
Onchocerca volvulus Alhambra homolog 0.0056 0.0437 0.0588
Echinococcus granulosus cpg binding protein 0.0094 0.088 0.092
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0245 0.2666 0.2818
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0424 0.4769 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0124 0.1239 0.1301
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0178 0.0324
Echinococcus multilocularis geminin 0.0175 0.1841 0.1941
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0296 0.03
Loa Loa (eye worm) hypothetical protein 0.0027 0.0092 0.0154
Brugia malayi Bromodomain containing protein 0.0155 0.16 0.294

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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