Detailed information for compound 2069230

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.397 | Formula: C16H18FN3OS
  • H donors: 0 H acceptors: 2 LogP: 2.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccccc1F)CCc1nccs1
  • InChi: 1S/C16H18FN3OS/c17-13-3-1-2-4-14(13)19-8-10-20(11-9-19)16(21)6-5-15-18-7-12-22-15/h1-4,7,12H,5-6,8-11H2
  • InChiKey: SQTRCPFBCCXWNJ-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 multilocularis enteropeptidase 0.0028 0.0031 0.0032
Echinococcus granulosus microtubule associated protein 2 0.0637 0.2741 0.3882
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.0221 0.0301
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0042 0.0096 0.4105
Brugia malayi TAR-binding protein 0.0034 0.006 0.0073
Echinococcus multilocularis BC026374 protein (S09 family) 0.0278 0.1142 0.161
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.0221 0.1117
Mycobacterium tuberculosis Carboxylesterase LipT 0.0337 0.1404 0.7351
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0042 0.0096 0.0624
Echinococcus multilocularis lamin dm0 0.0033 0.0053 0.0062
Loa Loa (eye worm) hypothetical protein 0.007 0.0221 0.0301
Brugia malayi hypothetical protein 0.0025 0.0017 0.0012
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.0221 0.0301
Onchocerca volvulus 0.0278 0.1142 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0053 0.0062
Loa Loa (eye worm) hypothetical protein 0.0278 0.1142 0.161
Leishmania major hypothetical protein, conserved 0.007 0.0221 1
Schistosoma mansoni hypothetical protein 0.0127 0.0471 0.0462
Loa Loa (eye worm) carboxylesterase 0.0278 0.1142 0.161
Echinococcus multilocularis neuroligin 0.0278 0.1142 0.161
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Loa Loa (eye worm) hypothetical protein 0.0048 0.0123 0.0162
Brugia malayi RNA binding protein 0.0034 0.006 0.0073
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0221 0.1871
Loa Loa (eye worm) hypothetical protein 0.1605 0.7045 1
Echinococcus granulosus para nitrobenzyl esterase 0.0278 0.1142 0.161
Schistosoma mansoni aldehyde dehydrogenase 0.0045 0.011 0.0101
Loa Loa (eye worm) beta-lactamase 0.007 0.0221 0.0301
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0278 0.1142 1
Mycobacterium ulcerans hypothetical protein 0.0028 0.0031 0.016
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0009 0.5
Entamoeba histolytica hypothetical protein 0.0025 0.0017 1
Schistosoma mansoni tar DNA-binding protein 0.0034 0.006 0.0051
Brugia malayi beta-lactamase 0.007 0.0221 0.0301
Loa Loa (eye worm) hypothetical protein 0.0028 0.0031 0.0032
Loa Loa (eye worm) acetylcholinesterase 1 0.1605 0.7045 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0031 0.0022
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0042 0.0096 0.4105
Loa Loa (eye worm) hypothetical protein 0.0028 0.0031 0.0032
Schistosoma mansoni intermediate filament proteins 0.0033 0.0053 0.0044
Loa Loa (eye worm) hypothetical protein 0.0278 0.1142 0.161
Onchocerca volvulus 0.0048 0.0123 0.1079
Entamoeba histolytica hypothetical protein 0.0025 0.0017 1
Brugia malayi hypothetical protein 0.0278 0.1142 0.161
Echinococcus granulosus tar DNA binding protein 0.0034 0.006 0.0073
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.0221 0.1117
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0031 0.0032
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0028 0.0031 0.0032
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0028 0.0031 0.0032
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0042 0.0096 0.5
Mycobacterium tuberculosis Probable hydrolase 0.007 0.0221 0.1117
Onchocerca volvulus 0.0278 0.1142 1
Mycobacterium ulcerans lipase LipD 0.007 0.0221 0.1519
Mycobacterium ulcerans aldehyde dehydrogenase 0.0045 0.011 0.0722
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.0221 0.1519
Mycobacterium tuberculosis Conserved protein 0.007 0.0221 0.1117
Echinococcus granulosus BC026374 protein S09 family 0.0278 0.1142 0.161
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0053 0.0062
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.0221 0.1117
Trichomonas vaginalis spcc417.12 protein, putative 0.0278 0.1142 1
Echinococcus granulosus lamin 0.0033 0.0053 0.0062
Echinococcus granulosus protein tyrosine kinase 0.0153 0.059 0.0826
Onchocerca volvulus 0.0278 0.1142 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0221 0.0301
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0048 0.0123 0.0114
Loa Loa (eye worm) hypothetical protein 0.0028 0.0031 0.0032
Brugia malayi Carboxylesterase family protein 0.0278 0.1142 0.161
Mycobacterium ulcerans aldehyde dehydrogenase 0.0045 0.011 0.0722
Onchocerca volvulus 0.007 0.0221 0.1934
Trichomonas vaginalis esterase, putative 0.007 0.0221 0.1871
Schistosoma mansoni hypothetical protein 0.0127 0.0471 0.0462
Schistosoma mansoni gabp alpha 0.0039 0.0082 0.0073
Schistosoma mansoni acetylcholinesterase 0.0278 0.1142 0.1134
Loa Loa (eye worm) hypothetical protein 0.0048 0.0123 0.0162
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0221 1
Schistosoma mansoni microtubule-associated protein tau 0.0637 0.2741 0.2734
Entamoeba histolytica hypothetical protein 0.0025 0.0017 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0278 0.1142 0.5968
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0221 0.0212
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0042 0.0096 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0096 0.0124
Onchocerca volvulus 0.0028 0.0031 0.0273
Echinococcus granulosus glycoprotein Antigen 5 0.0028 0.0031 0.0032
Schistosoma mansoni BC026374 protein (S09 family) 0.0278 0.1142 0.1134
Echinococcus granulosus lamin dm0 0.0033 0.0053 0.0062
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0221 0.0212
Schistosoma mansoni gliotactin 0.0278 0.1142 0.1134
Echinococcus multilocularis lamin 0.0033 0.0053 0.0062
Plasmodium vivax hypothetical protein, conserved 0.007 0.0221 1
Toxoplasma gondii aldehyde dehydrogenase 0.0045 0.011 0.4755
Loa Loa (eye worm) hypothetical protein 0.0278 0.1142 0.161
Echinococcus multilocularis acetylcholinesterase 0.1605 0.7045 1
Loa Loa (eye worm) TAR-binding protein 0.0034 0.006 0.0073
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0221 0.1871
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0221 0.1871
Onchocerca volvulus 0.0033 0.0053 0.0462
Brugia malayi Carboxylesterase family protein 0.1605 0.7045 1
Echinococcus multilocularis Mastin 0.0028 0.0031 0.0032
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0031 0.0022
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0039 0.0082 0.0104
Brugia malayi Ets-domain containing protein 0.0039 0.0082 0.0104
Brugia malayi Carboxylesterase family protein 0.0278 0.1142 0.161
Brugia malayi Fli-1 protein 0.0119 0.0436 0.0608
Schistosoma mansoni tar DNA-binding protein 0.0034 0.006 0.0051
Brugia malayi Trypsin family protein 0.0028 0.0031 0.0032
Entamoeba histolytica hypothetical protein 0.0025 0.0017 1
Onchocerca volvulus 0.0278 0.1142 1
Schistosoma mansoni tar DNA-binding protein 0.0034 0.006 0.0051
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.0221 0.1117
Mycobacterium ulcerans aldehyde dehydrogenase 0.0045 0.011 0.0722
Brugia malayi Trypsin family protein 0.0028 0.0031 0.0032
Schistosoma mansoni peptidase Clp (S14 family) 0.0042 0.0096 0.0087
Brugia malayi Carboxylesterase family protein 0.1605 0.7045 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0278 0.1142 0.1134
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0042 0.0096 0.3414
Echinococcus granulosus neuroligin 0.0278 0.1142 0.161
Echinococcus granulosus geminin 0.0127 0.0471 0.0657
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Mycobacterium leprae conserved hypothetical protein 0.007 0.0221 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1605 0.7045 0.7042
Brugia malayi hypothetical protein 0.0028 0.0031 0.0032
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0028 0.0031 0.0117
Schistosoma mansoni lamin 0.0033 0.0053 0.0044
Brugia malayi Carboxylesterase family protein 0.0278 0.1142 0.161
Brugia malayi Probable ClpP-like protease 0.0042 0.0096 0.0124
Loa Loa (eye worm) hypothetical protein 0.0278 0.1142 0.161
Echinococcus multilocularis para nitrobenzyl esterase 0.0278 0.1142 0.161
Echinococcus granulosus Mastin 0.0028 0.0031 0.0032
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0278 0.1142 0.5968
Schistosoma mansoni tar DNA-binding protein 0.0034 0.006 0.0051
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0042 0.0096 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0031 0.0022
Onchocerca volvulus 0.0028 0.0031 0.0273
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0028 0.0031 0.0117
Loa Loa (eye worm) hypothetical protein 0.0028 0.0031 0.0032
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Mycobacterium tuberculosis Conserved protein 0.007 0.0221 0.1117
Schistosoma mansoni hypothetical protein 0.0028 0.0031 0.0022
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0042 0.0096 0.0124
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0278 0.1142 0.161
Echinococcus granulosus transmembrane protease serine 3 0.0028 0.0031 0.0032
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0042 0.0096 0.0124
Loa Loa (eye worm) RNA binding protein 0.0034 0.006 0.0073
Loa Loa (eye worm) hypothetical protein 0.0028 0.0031 0.0032
Loa Loa (eye worm) hypothetical protein 0.0033 0.0057 0.0068
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.0221 0.1117
Schistosoma mansoni hypothetical protein 0.0025 0.0017 0.0008
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0028 0.0031 0.0032
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0221 1
Mycobacterium tuberculosis Conserved protein 0.007 0.0221 0.1117
Schistosoma mansoni tyrosine kinase 0.0153 0.059 0.0582
Echinococcus multilocularis acetylcholinesterase 0.1605 0.7045 1
Echinococcus multilocularis musashi 0.0033 0.0053 0.0062
Loa Loa (eye worm) hypothetical protein 0.0278 0.1142 0.161
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0042 0.0096 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0221 0.0301
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0042 0.0096 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0045 0.011 0.0143
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.0221 0.0301
Onchocerca volvulus 0.0028 0.0031 0.0273
Loa Loa (eye worm) carboxylesterase 0.0278 0.1142 0.161
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0048 0.0123 0.0114
Echinococcus multilocularis carboxylesterase 5A 0.1605 0.7045 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Toxoplasma gondii ABC1 family protein 0.007 0.0221 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0221 1
Schistosoma mansoni lamin 0.0033 0.0053 0.0044
Echinococcus granulosus acetylcholinesterase 0.1605 0.7045 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0042 0.0096 0.4105
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0025 0.0017 0.0012
Onchocerca volvulus 0.0278 0.1142 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0028 0.0031 0.0032
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0045 0.011 0.4755
Onchocerca volvulus 0.0028 0.0031 0.0273
Mycobacterium ulcerans carboxylesterase, LipT 0.0337 0.1404 1
Mycobacterium leprae Probable lipase LipE 0.007 0.0221 1
Echinococcus multilocularis microtubule associated protein 2 0.0637 0.2741 0.3882
Loa Loa (eye worm) carboxylesterase 0.1605 0.7045 1
Brugia malayi beta-lactamase family protein 0.007 0.0221 0.0301
Schistosoma mansoni neuroligin 3 (S09 family) 0.0278 0.1142 0.1134
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.0221 0.1117
Schistosoma mansoni tar DNA-binding protein 0.0034 0.006 0.0051
Echinococcus multilocularis protein tyrosine kinase 0.0153 0.059 0.0826
Onchocerca volvulus 0.0028 0.0031 0.0273
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Schistosoma mansoni aldehyde dehydrogenase 0.0045 0.011 0.0101
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Brugia malayi Carboxylesterase family protein 0.0278 0.1142 0.161
Loa Loa (eye worm) hypothetical protein 0.007 0.0221 0.0301
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0031 0.0022
Echinococcus granulosus acetylcholinesterase 0.1605 0.7045 1
Onchocerca volvulus 0.007 0.0221 0.1934
Loa Loa (eye worm) hypothetical protein 0.0278 0.1142 0.161
Echinococcus granulosus peptidase Clp S14 family 0.0028 0.0031 0.0032
Brugia malayi Trypsin family protein 0.0048 0.0123 0.0162
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0053 0.0062
Echinococcus granulosus carboxylesterase 5A 0.1605 0.7045 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0053 0.0062
Echinococcus multilocularis transmembrane protease serine 3 0.0028 0.0031 0.0032
Mycobacterium ulcerans beta-lactamase 0.007 0.0221 0.1519
Echinococcus multilocularis glycoprotein Antigen 5 0.0028 0.0031 0.0032
Echinococcus granulosus GA binding protein alpha chain 0.0039 0.0082 0.0104
Onchocerca volvulus 0.007 0.0221 0.1934
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0278 0.1142 0.1134
Onchocerca volvulus 0.0033 0.0053 0.0462
Brugia malayi Trypsin-like protease protein 5 0.0028 0.0031 0.0032
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0031 0.0022
Schistosoma mansoni transcription factor LCR-F1 0.0025 0.0017 0.0008
Echinococcus multilocularis GA binding protein alpha chain 0.0039 0.0082 0.0104
Brugia malayi intermediate filament protein 0.0033 0.0053 0.0062
Loa Loa (eye worm) trypsin family protein 0.0028 0.0031 0.0032
Brugia malayi Protein kinase domain containing protein 0.0155 0.0598 0.0837
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0278 0.1142 0.161
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0221 0.1871
Brugia malayi RNA recognition motif domain containing protein 0.0034 0.006 0.0073
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0042 0.0096 0.0624
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0221 0.1871
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.0221 0.0301
Mycobacterium ulcerans hypothetical protein 0.007 0.0221 0.1519
Loa Loa (eye worm) hypothetical protein 0.007 0.0221 0.0301
Echinococcus granulosus intermediate filament protein 0.0033 0.0053 0.0062
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0034 0.006 0.0073
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0413 0.1743 0.1735
Loa Loa (eye worm) hypothetical protein 0.007 0.0221 0.0301
Loa Loa (eye worm) TK/FAK protein kinase 0.0155 0.0598 0.0837
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0045 0.011 0.0531
Brugia malayi Ets-domain containing protein 0.0039 0.0082 0.0104
Brugia malayi Trypsin family protein 0.0028 0.0031 0.0032
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0031 0.0022
Loa Loa (eye worm) hypothetical protein 0.1605 0.7045 1
Echinococcus granulosus enteropeptidase 0.0028 0.0031 0.0032
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0025 0.0017 0.0012
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0028 0.0031 0.0022
Schistosoma mansoni hypothetical protein 0.0028 0.0031 0.0022
Schistosoma mansoni ets-related 0.0119 0.0436 0.0428
Loa Loa (eye worm) hypothetical protein 0.0032 0.005 0.0059
Mycobacterium tuberculosis Possible penicillin-binding protein 0.045 0.1907 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0278 0.1142 0.1134
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.0221 0.1519
Loa Loa (eye worm) fli-1 protein 0.0119 0.0436 0.0608
Brugia malayi beta-lactamase family protein 0.007 0.0221 0.0301
Loa Loa (eye worm) hypothetical protein 0.0278 0.1142 0.161
Echinococcus multilocularis geminin 0.0127 0.0471 0.0657
Echinococcus multilocularis tar DNA binding protein 0.0034 0.006 0.0073
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0045 0.011 0.0143
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0028 0.0031 0.0032

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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