Detailed information for compound 755359

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.42 | Formula: C20H25F3N2O2
  • H donors: 0 H acceptors: 1 LogP: 4.28 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCC1CCCCN1Cc1nc(oc1C)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C20H25F3N2O2/c1-14-18(13-25-11-4-3-5-17(25)10-12-26-2)24-19(27-14)15-6-8-16(9-7-15)20(21,22)23/h6-9,17H,3-5,10-13H2,1-2H3
  • InChiKey: BVRUKSMTZUIYQH-UHFFFAOYSA-N  

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
Echinococcus granulosus GPCR family 2 0.0101 0.092 0.3855
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0049 0.0349 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0265 0.111
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0016 0.0906
Loa Loa (eye worm) hypothetical protein 0.0066 0.054 0.0526
Schistosoma mansoni hypothetical protein 0.0101 0.092 0.3855
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0132 0.0554
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0345 0.0329
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.1154 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0016 0.045
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0187 0.5363
Brugia malayi PHD-finger family protein 0.0034 0.0187 0.0187
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0101 0.092 0.3855
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0016 0.0066
Loa Loa (eye worm) hypothetical protein 0.0026 0.0098 0.0083
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.1154 1
Trypanosoma brucei inositol phosphorylceramide synthase 0.0049 0.0349 1
Onchocerca volvulus 0.0154 0.1502 0.6273
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0101 0.092 0.3855
Echinococcus granulosus pyruvate kinase 0.0033 0.0173 0.0726
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0265 0.025
Loa Loa (eye worm) hypothetical protein 0.0058 0.0451 0.0436
Echinococcus granulosus peregrin 0.0034 0.0187 0.0784
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0016 0.045
Plasmodium vivax sphingomyelin synthase 1, putative 0.0049 0.0349 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0098 0.282
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0049 0.0349 1
Entamoeba histolytica hypothetical protein 0.0049 0.0349 1
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0049 0.0349 0.0349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0132 0.0554
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0173 0.0748
Brugia malayi Sphingomyelin synthase-related 1 0.0049 0.0349 0.0349
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0235 0.2386 0.2386
Echinococcus multilocularis pyruvate kinase 0.0033 0.0173 0.0726
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0049 0.0349 0.1506
Brugia malayi Pre-SET motif family protein 0.0201 0.2013 0.2013
Schistosoma mansoni pyruvate kinase 0.0033 0.0173 0.0726
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0173 0.0158
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0101 0.092 0.092
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0173 0.0748
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.2013 0.2
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0173 0.0158
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0265 0.111
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.102 0.8837
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0187 0.0172
Schistosoma mansoni ap endonuclease 0.0018 0.0016 0.0066
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.102 0.8632
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0049 0.0349 0.1462
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.00000032356 0.0000092777
Schistosoma mansoni hypothetical protein 0.0218 0.22 0.9218
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0049 0.0349 0.0349
Echinococcus granulosus GA binding protein alpha chain 0.0077 0.0663 0.2779
Plasmodium falciparum glutathione reductase 0.0048 0.0345 0.9878
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0265 0.111
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0049 0.0349 0.1506
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0049 0.0349 0.0349
Schistosoma mansoni hypothetical protein 0.0177 0.1753 0.7345
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0235 0.2386 1
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0173 0.0158
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0098 0.282
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0235 0.2386 1
Onchocerca volvulus Alhambra homolog 0.0034 0.0187 0.0251
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0173 0.0188
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0173 0.4967
Loa Loa (eye worm) hypothetical protein 0.0034 0.0187 0.0172
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0187 0.0784
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0101 0.092 0.3855
Entamoeba histolytica hypothetical membrane-spanning protein 0.0049 0.0349 1
Leishmania major trypanothione reductase 0.0048 0.0345 0.9878
Plasmodium falciparum pyruvate kinase 0.0033 0.0173 0.4967
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0173 0.1501
Brugia malayi Fli-1 protein 0.0235 0.2385 0.2385
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.102 0.8837
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0049 0.0349 0.1506
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0173 0.0173
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0173 0.4967
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0173 0.4967
Giardia lamblia PHD finger protein 15 0.0034 0.0187 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0016 0.0066
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0235 0.2386 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0132 0.0554
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0121 0.0505
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.00000032356 0.0000092777
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0173 0.4967
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0098 0.282
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0049 0.0349 0.1506
Brugia malayi glutathione reductase 0.0048 0.0345 0.0345
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0319 0.3302 0.3302
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0016 0.045
Schistosoma mansoni hypothetical protein 0.0101 0.092 0.3855
Plasmodium falciparum thioredoxin reductase 0.0048 0.0345 0.9878
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0132 0.3791
Entamoeba histolytica hypothetical protein 0.0049 0.0349 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0016 1
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0049 0.0349 1
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0173 0.0188
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0016 0.0068
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.102 0.8837
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0235 0.2386 1
Toxoplasma gondii thioredoxin reductase 0.0048 0.0345 0.9878
Brugia malayi hypothetical protein 0.0154 0.1502 0.1502
Toxoplasma gondii hypothetical protein 0.0049 0.0349 1
Leishmania major hypothetical protein, conserved 0.0026 0.0098 0.282
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0187 0.5363
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0132 0.0554
Loa Loa (eye worm) hypothetical protein 0.0029 0.0132 0.0117
Entamoeba histolytica hypothetical protein 0.0049 0.0349 1
Schistosoma mansoni gabp alpha 0.0077 0.0663 0.2779
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0098 0.282
Echinococcus granulosus sphingomyelin synthase protein 1 0.0049 0.0349 0.1462
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0173 0.0173
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0049 0.0349 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0098 0.282
Onchocerca volvulus 0.0229 0.2316 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0349 0.0334
Loa Loa (eye worm) hypothetical protein 0.0218 0.22 0.2187
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0132 0.0554
Plasmodium falciparum thioredoxin reductase 0.0017 0.00000032356 0.0000092777
Echinococcus granulosus pyruvate kinase 0.0033 0.0173 0.0726
Echinococcus multilocularis peregrin 0.0034 0.0187 0.0784
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0187 0.0784
Entamoeba histolytica hypothetical protein 0.0049 0.0349 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0173 0.0158
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0345 0.2985
Plasmodium falciparum phd finger protein, putative 0.0034 0.0187 0.5363
Plasmodium vivax SET domain protein, putative 0.0029 0.0132 0.3791
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0111 0.1028 0.4309
Leishmania major pyruvate kinase 0.0033 0.0173 0.4967
Echinococcus multilocularis GA binding protein alpha chain 0.0077 0.0663 0.2779
Schistosoma mansoni spingomyelin synthetase-related 0.0049 0.0349 0.1462
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.00000032356 0.0000092777
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0016 0.0136
Trichomonas vaginalis hypothetical protein 0.0049 0.0349 0.1506
Echinococcus multilocularis pyruvate kinase 0.0033 0.0173 0.0726
Brugia malayi jmjC domain containing protein 0.0111 0.1028 0.1028
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.102 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.1154 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0349 0.0334
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.00000032356 0.0000092777
Toxoplasma gondii exonuclease III APE 0.0018 0.0016 0.045
Schistosoma mansoni hypothetical protein 0.0177 0.1753 0.7345
Loa Loa (eye worm) fli-1 protein 0.0235 0.2385 0.2373
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.00000032356 0.000001356
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0016 0.0839
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0049 0.0349 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0173 0.4967
Mycobacterium tuberculosis Probable reductase 0.011 0.102 0.8837
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0016 0.045
Loa Loa (eye worm) hypothetical protein 0.0319 0.3302 0.3292
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0049 0.0349 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0016 0.045
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0349 0.1506
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0132 0.0554
Loa Loa (eye worm) hypothetical protein 0.0049 0.0349 0.0334
Brugia malayi latrophilin 2 splice variant baaae 0.0218 0.22 0.22
Brugia malayi hypothetical protein 0.0026 0.0098 0.0098
Brugia malayi jmjC domain containing protein 0.0041 0.0265 0.0265
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0187 0.5363
Brugia malayi Bromodomain containing protein 0.0034 0.0187 0.0187
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0332 0.1391
Plasmodium vivax glutathione reductase, putative 0.0048 0.0345 0.9878
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0345 0.1444
Loa Loa (eye worm) hypothetical protein 0.0933 1 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0187 0.0784
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0173 0.4967
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0066 0.005
Trichomonas vaginalis set domain proteins, putative 0.0229 0.2316 1
Entamoeba histolytica hypothetical protein 0.0049 0.0349 1
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0049 0.0349 1
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0049 0.0349 1
Trypanosoma brucei trypanothione reductase 0.0048 0.0345 0.9878
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0049 0.0349 0.0349
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0066 0.1497
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0098 0.282
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0345 0.9878
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.1154 1
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0173 0.0188
Loa Loa (eye worm) glutathione reductase 0.0048 0.0345 0.0329
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0098 0.282
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0154 0.1502 0.1489
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0016 0.045
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0345 0.1444
Echinococcus multilocularis pyruvate kinase 0.0026 0.0098 0.0412
Brugia malayi Ets-domain containing protein 0.0077 0.0663 0.0663
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0332 0.1391
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0132 0.0554
Loa Loa (eye worm) latrophilin receptor protein 2 0.0101 0.092 0.0906
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0345 0.9878
Echinococcus multilocularis geminin 0.0177 0.1753 0.7345
Plasmodium vivax sphingomyelin synthase 2, putative 0.0049 0.0349 1
Brugia malayi Latrophilin receptor protein 2 0.0101 0.092 0.092
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0016 1
Leishmania major pyruvate kinase 0.0033 0.0173 0.4967
Schistosoma mansoni hypothetical protein 0.0034 0.0187 0.0784
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.00000032356 0.0000092777
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0235 0.2386 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0319 0.3302 0.3302
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0049 0.0349 1
Schistosoma mansoni hypothetical protein 0.0101 0.092 0.3855
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0581 0.0566
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0101 0.092 0.3855
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.00000032356 0.000001356
Schistosoma mansoni hypothetical protein 0.0101 0.092 0.3855
Loa Loa (eye worm) hypothetical protein 0.0101 0.092 0.0906
Plasmodium falciparum glutathione reductase 0.0017 0.00000032356 0.0000092777
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.00000032356 0.000001356
Brugia malayi Pre-SET motif family protein 0.0029 0.0132 0.0132
Schistosoma mansoni ets-related 0.0235 0.2385 0.9995
Loa Loa (eye worm) hypothetical protein 0.0049 0.0349 0.0334
Schistosoma mansoni jumonji domain containing protein 0.0088 0.0779 0.3266
Echinococcus multilocularis GPCR, family 2 0.0101 0.092 0.3855
Chlamydia trachomatis pyruvate kinase 0.0033 0.0173 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0016 0.0068
Schistosoma mansoni ap endonuclease 0.0018 0.0016 0.0066
Echinococcus granulosus geminin 0.0177 0.1753 0.7345
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.00000032356 0.0000092777
Loa Loa (eye worm) hypothetical protein 0.0049 0.0349 0.0334
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0111 0.1028 0.4309
Schistosoma mansoni pyruvate kinase 0.0033 0.0173 0.0726
Giardia lamblia Pyruvate kinase 0.0033 0.0173 0.9262
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.102 0.8837
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0173 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0077 0.0663 0.0648
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0235 0.2386 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0235 0.2386 0.2374
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0265 0.111
Brugia malayi Thioredoxin reductase 0.0048 0.0345 0.0345
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0235 0.2386 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0319 0.3302 0.3292
Loa Loa (eye worm) hypothetical protein 0.0023 0.0066 0.005
Brugia malayi Ets-domain containing protein 0.0077 0.0663 0.0663

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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