Detailed information for compound 1423046

Basic information

Technical information
  • TDR Targets ID: 1423046
  • Name: (4-methoxyphenyl) 1-methyl-3-(trifluoromethyl )pyrazole-4-carboxylate
  • MW: 300.233 | Formula: C13H11F3N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)OC(=O)c1cn(nc1C(F)(F)F)C
  • InChi: 1S/C13H11F3N2O3/c1-18-7-10(11(17-18)13(14,15)16)12(19)21-9-5-3-8(20-2)4-6-9/h3-7H,1-2H3
  • InChiKey: LKHSWGIGDMRTHS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-methyl-3-(trifluoromethyl)-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester
  • 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid (4-methoxyphenyl) ester
  • 12M-329S
  • ZINC01404939
  • 4-methoxyphenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
  • MLS000540486
  • SMR000125744

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
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
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0935 0.1907
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0226 0.464
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0485 0.0485
Echinococcus granulosus chromobox protein 1 0.0084 0.1878 0.1878
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0226 0.5
Schistosoma mansoni hypothetical protein 0.0372 1 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0226 0.0226
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0022 0.0134 0.0336
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0001 0.0001
Schistosoma mansoni ran 0.0026 0.0226 0.0226
Brugia malayi isocitrate dehydrogenase 0.0018 0.0001 0.0004
Plasmodium falciparum ornithine aminotransferase 0.0022 0.0134 0.274
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0022 0.0134 0.0336
Echinococcus granulosus importin subunit beta 1 0.0035 0.0485 0.0485
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0485 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0226 0.7532
Mycobacterium ulcerans hypothetical protein 0.0157 0.3946 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0226 0.464
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0157 0.3946 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.1076 0.1076
Echinococcus multilocularis snurportin 1 0.0372 1 1
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0134 0.0134
Leishmania major importin beta-1 subunit, putative 0.0028 0.0299 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0226 0.464
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0001 0.0001
Schistosoma mansoni importin beta-1 0.0035 0.0485 0.0485
Echinococcus multilocularis chromobox protein 1 0.0084 0.1878 0.1878
Brugia malayi Importin beta-1 subunit 0.0035 0.0485 0.2111
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0485 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0546 0.0546
Plasmodium falciparum importin beta, putative 0.0035 0.0485 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1076 0.4684
Schistosoma mansoni ran 0.0026 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0035 0.0485 0.0485
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0022 0.0134 0.0336
Brugia malayi RNA, U transporter 1 0.0099 0.2298 1
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0134 0.0134
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0001 0.0001
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0001 0.0001
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0226 0.0226
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1878 0.1878
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0834 0.7399
Plasmodium vivax ornithine aminotransferase, putative 0.0022 0.0134 0.274
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1076 0.1076
Mycobacterium tuberculosis Probable aminotransferase 0.0157 0.3946 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1878 0.4442
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0157 0.3946 1
Leishmania major GTP-binding protein, putative 0.0026 0.0226 0.7532
Loa Loa (eye worm) hypothetical protein 0.0047 0.0834 0.0834
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0134 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0001 0.0001
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0935 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0226 0.0226
Brugia malayi Heterochromatin protein 1 0.0084 0.1878 0.8171
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0299 0.0198
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1878 0.4442
Schistosoma mansoni hypothetical protein 0.0038 0.0578 0.0578
Echinococcus multilocularis chromobox protein 1 0.0084 0.1878 0.1878
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0134 0.5
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0226 0.0981
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0001 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0834 0.1635
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0157 0.3946 1
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0299 0.0198
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0157 0.3946 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0445 0.0589
Plasmodium vivax importin-beta 2, putative 0.0035 0.0485 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0134 0.0134
Schistosoma mansoni chromobox protein 0.0084 0.1878 0.1878
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0578 0.2516
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0226 0.464
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0299 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0134 0.0581
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0022 0.0134 0.0336
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0134 0.0134
Echinococcus granulosus chromobox protein 1 0.0084 0.1878 0.1878
Loa Loa (eye worm) hypothetical protein 0.0038 0.0578 0.0578
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0226 0.7532
Entamoeba histolytica hypothetical protein 0.0028 0.0299 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0299 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0445 0.0589
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0834 0.1635
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0001 0.0004
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0935 0.1907
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1076 0.4684
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0001 0.0001
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0134 0.0134
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0485 1
Brugia malayi chromobox protein homolog 3 0.0047 0.0834 0.3628
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0022 0.0134 0.274
Echinococcus granulosus Aminotransferase class III 0.0022 0.0134 0.0134
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0001 0.0001
Schistosoma mansoni chromobox protein 0.0084 0.1878 0.1878

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0794 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 2.0596 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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