Detailed information for compound 170932

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 757.442 | Formula: C41H59ClN3O6S-
  • H donors: 5 H acceptors: 5 LogP: 7.88 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 2
  • SMILES: CSCC[C@H](C(=O)O)NC(=O)[C@H](NC(=O)[C@H](C(C)C)NCc1cccc(c1O)OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)Cc1ccccc1.[Cl-]
  • InChi: 1S/C41H59N3O6S.ClH/c1-28(2)14-11-15-30(5)16-12-17-31(6)22-24-50-36-21-13-20-33(38(36)45)27-42-37(29(3)4)40(47)44-35(26-32-18-9-8-10-19-32)39(46)43-34(41(48)49)23-25-51-7;/h8-10,13-14,16,18-22,29,34-35,37,42,45H,11-12,15,17,23-27H2,1-7H3,(H,43,46)(H,44,47)(H,48,49);1H/p-1/b30-16+,31-22+;/t34-,35-,37-;/m0./s1
  • InChiKey: WOAQVRXUMARCJT-LIUDSTGRSA-M  

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 multilocularis beta LACTamase domain containing family member 0.0037 0.0206 0.0206
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0493 0.124
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.1266 0.1691
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0377 0.1377
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0206 0.0275
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0092 0.0865 0.3337
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0092 0.0865 0.2247
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0092 0.0865 0.0865
Brugia malayi hypothetical protein 0.0033 0.0157 0.0209
Schistosoma mansoni lipoxygenase 0.0057 0.0439 0.114
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0493 0.1281
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0206 0.0534
Brugia malayi TAR-binding protein 0.0125 0.1266 0.1691
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.0967 0.1292
Giardia lamblia NADP-specific glutamate dehydrogenase 0.0023 0.0034 0.5
Echinococcus granulosus tar DNA binding protein 0.0125 0.1266 0.3288
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0493 0.124
Echinococcus granulosus muscleblind protein 0.0149 0.1555 0.404
Plasmodium falciparum NADP-specific glutamate dehydrogenase 0.0023 0.0034 0.0143
Leishmania major guanosine monophosphate reductase 0.0229 0.2524 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0216 0.236 1
Trypanosoma brucei GMP reductase 0.0229 0.2524 1
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0216 0.0562
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0551 0.1432
Loa Loa (eye worm) hypothetical protein 0.0037 0.0206 0.0275
Brugia malayi MH2 domain containing protein 0.0025 0.0057 0.0077
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0095 0.0907 0.1211
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.0967 0.0967
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0095 0.0907 0.1211
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0229 0.2524 0.9571
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0493 0.124
Echinococcus granulosus lamin 0.0054 0.0408 0.106
Brugia malayi MH1 domain containing protein 0.0025 0.0057 0.0077
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0493 0.1281
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0229 0.2524 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0967 0.2512
Brugia malayi glutamate dehydrogenase, mitochondrial precursor, putative 0.0023 0.0034 0.0045
Trypanosoma cruzi GMP reductase 0.0229 0.2524 1
Onchocerca volvulus Glutamate dehydrogenase, mitochondrial homolog 0.0023 0.0034 0.0039
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0216 0.236 0.9291
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0229 0.2524 1
Trichomonas vaginalis set domain proteins, putative 0.0729 0.8554 1
Toxoplasma gondii ABC1 family protein 0.0037 0.0206 0.069
Toxoplasma gondii IMP dehydrogenas 0.0229 0.2524 1
Schistosoma mansoni Smad4 0.0025 0.0057 0.0149
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0551 0.2077
Brugia malayi MH1 domain containing protein 0.0025 0.0057 0.0077
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0229 0.2524 0.5
Loa Loa (eye worm) beta-lactamase 0.0037 0.0206 0.0275
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0057 0.0077
Loa Loa (eye worm) IMP dehydrogenase 1 0.0229 0.2524 0.3372
Schistosoma mansoni intermediate filament proteins 0.0054 0.0408 0.106
Brugia malayi glutamate dehydrogenase, mitochondrial precursor, putative 0.0023 0.0034 0.0045
Leishmania major hypothetical protein, conserved 0.0051 0.0377 0.1377
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0109 0.1071 0.3732
Loa Loa (eye worm) hypothetical protein 0.0025 0.0059 0.0079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0967 0.2512
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1266 0.3288
Plasmodium vivax glutamate dehydrogenase (NADP+), putative 0.0023 0.0034 0.0143
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1 0.2596
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0408 0.0545
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0069 0.0585 0.0647
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0377 0.1377
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0551 0.1432
Echinococcus granulosus histone lysine methyltransferase setb 0.0092 0.0865 0.2247
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0069 0.0585 0.152
Brugia malayi MH2 domain containing protein 0.0367 0.4179 0.5582
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0551 0.2077
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0229 0.2524 0.6557
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0216 0.236 1
Schistosoma mansoni smad1 5 8 and 0.0025 0.0057 0.0149
Loa Loa (eye worm) Smad1 0.0025 0.0057 0.0077
Trichomonas vaginalis esterase, putative 0.0037 0.0206 0.0202
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0408 0.0545
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0967 0.2512
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0206 0.0202
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0641 0.7486 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.2628 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0493 0.1187
Echinococcus multilocularis muscleblind protein 0.0149 0.1555 0.1555
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0034 0.0034
Onchocerca volvulus Putative GMP reductase 0.0095 0.0907 0.106
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0092 0.0865 0.2247
Brugia malayi RNA binding protein 0.0125 0.1266 0.1691
Brugia malayi intermediate filament protein 0.0054 0.0408 0.0545
Schistosoma mansoni hypothetical protein 0.0023 0.0034 0.009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.0967 0.2512
Echinococcus granulosus Glutamate dehydrogenase mitochondrial 0.0023 0.0034 0.0088
Onchocerca volvulus 0.0054 0.0408 0.0477
Echinococcus granulosus smad 0.0025 0.0057 0.0149
Onchocerca volvulus 0.0037 0.0206 0.024
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0551 0.2077
Echinococcus granulosus intermediate filament protein 0.0054 0.0408 0.106
Echinococcus multilocularis tar DNA binding protein 0.0125 0.1266 0.1266
Schistosoma mansoni smad1 5 8 and 0.0025 0.0057 0.0149
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0092 0.0865 0.2247
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0206 0.069
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0216 0.0216
Schistosoma mansoni lamin 0.0054 0.0408 0.106
Echinococcus multilocularis lamin 0.0054 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.0149 0.1555 0.2077
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0105 0.0141
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0057 0.0149
Echinococcus granulosus lamin dm0 0.0054 0.0408 0.106
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0206 0.0871
Brugia malayi Muscleblind-like protein 0.0149 0.1555 0.2077
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0206 0.0275
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1 0.2596
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0057 0.0077
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0493 0.1845
Brugia malayi Pre-SET motif family protein 0.0092 0.0865 0.1155
Trypanosoma cruzi GMP reductase 0.0229 0.2524 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1266 0.3288
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0377 0.1377
Loa Loa (eye worm) TAR-binding protein 0.0125 0.1266 0.1691
Brugia malayi Melibiase family protein 0.0069 0.0585 0.0782
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0206 0.0534
Loa Loa (eye worm) MH2 domain-containing protein 0.0367 0.4179 0.5582
Echinococcus granulosus geminin 0.0339 0.385 1
Echinococcus granulosus glutamate dehydrogenase 0.0023 0.0034 0.0088
Onchocerca volvulus Glutamate dehydrogenase, mitochondrial homolog 0.0023 0.0034 0.0039
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0206 0.0202
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0229 0.2524 0.6557
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1266 0.3288
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1266 0.3288
Loa Loa (eye worm) hypothetical protein 0.0069 0.0585 0.0782
Plasmodium falciparum NADP-specific glutamate dehydrogenase 0.0023 0.0034 0.0143
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0069 0.0585 0.152
Echinococcus multilocularis lamin dm0 0.0054 0.0408 0.0408
Echinococcus multilocularis musashi 0.0054 0.0408 0.0408
Onchocerca volvulus 0.0037 0.0206 0.024
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0103 0.1 0.1
Echinococcus multilocularis Glutamate dehydrogenase, mitochondrial 0.0023 0.0034 0.0034
Brugia malayi Pre-SET motif family protein 0.0641 0.7486 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0229 0.2524 1
Echinococcus multilocularis glutamate dehydrogenase 0.0023 0.0034 0.0034
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0206 0.069
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0103 0.1 0.2596
Brugia malayi hypothetical protein 0.0051 0.0377 0.0503
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0229 0.2524 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0057 0.0057
Onchocerca volvulus 0.0729 0.8554 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0206 0.0275
Loa Loa (eye worm) hypothetical protein 0.0051 0.0377 0.0503
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0206 0.0202
Schistosoma mansoni hypothetical protein 0.0339 0.385 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0439 0.0439
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0408 0.0545
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0071 0.0071
Onchocerca volvulus 0.0054 0.0408 0.0477
Loa Loa (eye worm) RNA binding protein 0.0125 0.1266 0.1691
Brugia malayi GMP reductase 0.0095 0.0907 0.1211
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0551 0.149
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0229 0.2524 0.2524
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0229 0.2524 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.0967 0.0967
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0493 0.1281
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1266 0.3288
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.0967 0.1292
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0057 0.0057
Brugia malayi beta-lactamase family protein 0.0037 0.0206 0.0275
Echinococcus multilocularis geminin 0.0339 0.385 0.385
Brugia malayi Smad1 0.0025 0.0057 0.0077
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.012 0.121 0.4144
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0551 0.0736
Loa Loa (eye worm) hypothetical protein 0.0053 0.0396 0.0529
Onchocerca volvulus 0.0092 0.0865 0.1011
Plasmodium vivax SET domain protein, putative 0.0092 0.0865 0.3665
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0493 0.1845
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0109 0.1071 0.3732
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0493 0.0493
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0105 0.0141
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.012 0.121 0.433
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0551 0.0551
Brugia malayi beta-lactamase 0.0037 0.0206 0.0275
Loa Loa (eye worm) hypothetical protein 0.0025 0.0059 0.0079
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0377 0.0738
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1 0.2596
Loa Loa (eye worm) hypothetical protein 0.0037 0.0206 0.0275
Loa Loa (eye worm) hypothetical protein 0.0054 0.0408 0.0545
Onchocerca volvulus 0.0037 0.0206 0.024
Schistosoma mansoni hypothetical protein 0.0339 0.385 1
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0377 0.1597
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.1 0.2596
Loa Loa (eye worm) GMP reductase 0.0095 0.0907 0.1211
Loa Loa (eye worm) hypothetical protein 0.0037 0.0206 0.0275
Toxoplasma gondii melibiase subfamily protein 0.0103 0.1 0.3878
Loa Loa (eye worm) hypothetical protein 0.0037 0.0206 0.0275
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0034 0.009
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0092 0.0865 0.0865
Echinococcus multilocularis smad 0.0025 0.0057 0.0057
Brugia malayi beta-lactamase family protein 0.0037 0.0206 0.0275
Loa Loa (eye worm) transcription factor SMAD2 0.0367 0.4179 0.5582
Echinococcus multilocularis muscleblind protein 1 0.0149 0.1555 0.1555
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0377 0.1597
Loa Loa (eye worm) hypothetical protein 0.0026 0.0071 0.0095
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0089 0.0824 0.2141
Schistosoma mansoni smad1 5 8 and 0.0025 0.0057 0.0149
Brugia malayi MH2 domain containing protein 0.0025 0.0057 0.0077
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.1266 0.1691
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0071 0.0184
Echinococcus granulosus Smad4 0.0025 0.0057 0.0149
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0206 0.0534
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0551 0.0736
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0057 0.0149
Schistosoma mansoni smad 0.0025 0.0057 0.0149
Loa Loa (eye worm) hypothetical protein 0.0149 0.1555 0.2077
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0103 0.1 0.1
Schistosoma mansoni glutamate dehydrogenase 0.0023 0.0034 0.0088
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0057 0.0149
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0377 0.1597
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.0967 0.2512
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0229 0.2524 0.3372
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0206 0.0202
Loa Loa (eye worm) hypothetical protein 0.0037 0.0206 0.0275
Schistosoma mansoni lamin 0.0054 0.0408 0.106
Echinococcus multilocularis Smad4 0.0025 0.0057 0.0057
Leishmania major inosine-5-monophosphate dehydrogenase 0.0229 0.2524 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0865 0.1155
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0551 0.5
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0229 0.2524 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0206 0.0202
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0092 0.0865 0.2247
Leishmania major hypothetical protein, conserved 0.0037 0.0206 0.069
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0439 0.114

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 70 uM Inhibition of farnesyl transferase ChEMBL. No reference

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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