Detailed information for compound 1483982

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.408 | Formula: C18H23N5O
  • H donors: 1 H acceptors: 3 LogP: 1.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C1CCN(CC1)c1ccnc(n1)c1cccc(c1)N(C)C
  • InChi: 1S/C18H23N5O/c1-22(2)15-5-3-4-14(12-15)18-20-9-6-16(21-18)23-10-7-13(8-11-23)17(19)24/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,19,24)
  • InChiKey: XBQFYTFSCZLPQF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873

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
Loa Loa (eye worm) RNA binding protein 0.0062 0.147 0.2077
Loa Loa (eye worm) hypothetical protein 0.0007 0.0093 0.0132
Schistosoma mansoni thyroid hormone receptor 0.0007 0.0093 0.0093
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0007 0.0093 0.0093
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0067 0.0121
Schistosoma mansoni cpg binding protein 0.0028 0.0615 0.0615
Schistosoma mansoni RAR-like nuclear receptor 0.0007 0.0093 0.0093
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0007 0.0093 0.0132
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0067 0.0121
Onchocerca volvulus Protein ultraspiracle homolog 0.0007 0.0093 0.0681
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0188 0.0686
Schistosoma mansoni tar DNA-binding protein 0.0062 0.147 0.147
Brugia malayi serine/threonine kinase 12 0.0113 0.2746 0.3882
Schistosoma mansoni ap endonuclease 0.0018 0.037 0.037
Toxoplasma gondii exonuclease III APE 0.0018 0.037 0.1349
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0067 0.0121
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.037 0.037
Schistosoma mansoni retinoic acid receptor RXR 0.0007 0.0093 0.0093
Echinococcus granulosus intraflagellar transport protein 88 0.0011 0.0188 0.0188
Loa Loa (eye worm) hypothetical protein 0.0007 0.0093 0.0132
Entamoeba histolytica protein kinase , putative 0.0113 0.2746 1
Trichomonas vaginalis AGC family protein kinase 0.0113 0.2746 0.4966
Trichomonas vaginalis TKL family protein kinase 0.0012 0.0212 0.0383
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0067 0.0121
Loa Loa (eye worm) AUR protein kinase 0.0113 0.2746 0.3882
Treponema pallidum hypothetical protein 0.0011 0.0188 0.5087
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0113 0.2746 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.037 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0082 0.0082
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0007 0.0093 0.0093
Trichomonas vaginalis AGC family protein kinase 0.0113 0.2746 0.4966
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0007 0.0093 0.0132
Brugia malayi steroid hormone receptor 0.0007 0.0093 0.0132
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.037 1
Echinococcus multilocularis intraflagellar transport protein 88 0.0011 0.0188 0.0188
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0082 0.0082
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0113 0.2746 1
Schistosoma mansoni ap endonuclease 0.0018 0.037 0.037
Brugia malayi ecdysteroid receptor 0.0007 0.0093 0.0132
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0004 0.0005 0.0005
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.037 0.037
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.147 0.2077
Loa Loa (eye worm) AUR protein kinase 0.0113 0.2746 0.3882
Trypanosoma brucei serine/threonine protein phosphatase 5 0.0011 0.0188 0.0686
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0007 0.0093 0.0681
Loa Loa (eye worm) hypothetical protein 0.0007 0.0093 0.0132
Loa Loa (eye worm) hypothetical protein 0.0007 0.0093 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0007 0.0093 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0007 0.0093 0.0132
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0188 0.0341
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0007 0.0093 0.0132
Schistosoma mansoni peptidyl-prolyl cis-trans isomerase G ppig 0.0224 0.553 0.553
Trichomonas vaginalis helicase, putative 0.0006 0.0067 0.0121
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0082 0.0082
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0126 0.0178
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0007 0.0093 0.0132
Schistosoma mansoni nuclear hormone receptor 0.0007 0.0093 0.0093
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.037 0.1349
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.037 0.1349
Loa Loa (eye worm) hypothetical protein 0.0011 0.0188 0.0266
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0082 0.0082
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0113 0.2746 0.2746
Loa Loa (eye worm) hypothetical protein 0.0007 0.0093 0.0132
Brugia malayi CXXC zinc finger family protein 0.0028 0.0615 0.0869
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0067 0.0121
Schistosoma mansoni tar DNA-binding protein 0.0062 0.147 0.147
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0067 0.0121
Onchocerca volvulus 0.0028 0.0615 0.4495
Schistosoma mansoni tar DNA-binding protein 0.0062 0.147 0.147
Loa Loa (eye worm) hypothetical protein 0.0011 0.0188 0.0266
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0007 0.0093 0.0093
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0004 0.0005 0.0007
Loa Loa (eye worm) hypothetical protein 0.0004 0.0005 0.0007
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.037 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0007 0.0093 0.0132
Loa Loa (eye worm) AUR protein kinase 0.0113 0.2746 0.3882
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0007 0.0093 0.0093
Brugia malayi hypothetical protein 0.0004 0.0005 0.0007
Schistosoma mansoni coup transcription factor 0.0007 0.0093 0.0093
Echinococcus multilocularis tar DNA binding protein 0.0062 0.147 0.147
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0004 0.0005 0.0005
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase A, ppia, putative 0.0224 0.553 1
Treponema pallidum hypothetical protein 0.0011 0.0188 0.5087
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0067 0.0121
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0067 0.0121
Giardia lamblia Dynein binding protein, putative 0.0011 0.0188 0.0686
Trichomonas vaginalis AGC family protein kinase 0.0113 0.2746 0.4966
Toxoplasma gondii aurora kinase 0.0113 0.2746 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0067 0.0121
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0007 0.0093 0.0132
Schistosoma mansoni G-protein signalling modulator 0.0011 0.0188 0.0188
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0007 0.0093 0.0132
Giardia lamblia Aurora kinase 0.0113 0.2746 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0007 0.0093 0.0132
Loa Loa (eye worm) TAR-binding protein 0.0062 0.147 0.2077
Schistosoma mansoni cell division cycle 0.0011 0.0188 0.0188
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0615 0.0869
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0007 0.0093 0.0093
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0007 0.0093 0.0093
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.147 0.2077
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0007 0.0093 0.0093
Brugia malayi protein C18H9.7 0.0011 0.0188 0.0266
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0007 0.0093 0.0093
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.037 0.0524
Loa Loa (eye worm) hypothetical protein 0.0004 0.0005 0.0007
Loa Loa (eye worm) steroid hormone receptor 0.0007 0.0093 0.0132
Echinococcus multilocularis thyroid hormone receptor alpha 0.0007 0.0093 0.0093
Schistosoma mansoni cpg binding protein 0.003 0.0655 0.0655
Trypanosoma cruzi aurora B kinase, putative 0.0113 0.2746 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0007 0.0093 0.0093
Echinococcus granulosus ecdysone induced protein 78C 0.0007 0.0093 0.0093
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.037 0.1349
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0067 0.0121
Echinococcus granulosus FTZ F1 alpha 0.0007 0.0093 0.0093
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.037 0.067
Schistosoma mansoni hypothetical protein 0.0011 0.0188 0.0188
Leishmania major cyclophilin 40 0.0112 0.2729 0.9937
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.037 0.1349
Trichomonas vaginalis AGC family protein kinase 0.0113 0.2746 0.4966
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0007 0.0093 0.0093
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0126 0.0126
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0004 0.0005 0.0007
Trypanosoma brucei aurora B kinase 0.0113 0.2746 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0007 0.0093 0.0132
Treponema pallidum hypothetical protein 0.0011 0.0188 0.5087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0007 0.0093 0.0132
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0067 0.0121
Loa Loa (eye worm) hypothetical protein 0.0004 0.0005 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0007 0.0093 0.0132
Brugia malayi nuclear hormone receptor 0.0007 0.0093 0.0132
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0004 0.0005 0.0005
Schistosoma mansoni cpg binding protein 0.003 0.0655 0.0655
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.037 0.1349
Brugia malayi TAR-binding protein 0.0062 0.147 0.2077
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0067 0.0121
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.141 0.141
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1368 0.1934
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1249 0.4548
Loa Loa (eye worm) hypothetical protein 0.0007 0.0093 0.0132
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0007 0.0093 0.0093
Echinococcus multilocularis FTZ F1 alpha 0.0007 0.0093 0.0093
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0082 0.0082
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7074 0.7074
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0007 0.0093 0.0132
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0007 0.0093 0.0132
Onchocerca volvulus 0.0007 0.0093 0.0681
Trypanosoma cruzi rotamase, putative 0.0112 0.2729 0.9937
Brugia malayi Nuclear hormone receptor-like 1 0.0004 0.0005 0.0007
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0113 0.2746 1
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.2746 0.2746
Echinococcus granulosus cpg binding protein 0.003 0.0655 0.0655
Brugia malayi serine/threonine protein kinase 6 0.0113 0.2746 0.3882
Brugia malayi Nuclear hormone receptor-like 1 0.0004 0.0005 0.0007
Echinococcus multilocularis dnaJ subfamily B 0.0402 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0007 0.0093 0.0093
Brugia malayi RNA binding protein 0.0062 0.147 0.2077
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0008 0.0008
Plasmodium falciparum serine/threonine protein kinase, putative 0.0113 0.2746 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0007 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0007 0.0093 0.0132
Trypanosoma cruzi 40 kDa cyclophilin, putative 0.0112 0.2729 0.9937
Trichomonas vaginalis cyclophillin, putative 0.0112 0.2729 0.4935
Echinococcus multilocularis cpg binding protein 0.003 0.0655 0.0655
Echinococcus granulosus aurora kinase A 0.0113 0.2746 0.2746
Onchocerca volvulus 0.0058 0.1368 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0007 0.0093 0.0132
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0113 0.2746 1
Entamoeba histolytica protein kinase domain containing protein 0.0113 0.2746 1
Echinococcus multilocularis peptidyl prolyl isomerase G 0.0224 0.553 0.553
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0067 0.0121
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0007 0.0093 0.0093
Brugia malayi nuclear receptor NHR-88 0.0007 0.0093 0.0132
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.037 0.067
Schistosoma mansoni tar DNA-binding protein 0.0062 0.147 0.147
Brugia malayi serine/threonine-protein kinase 6 0.0113 0.2746 0.3882
Onchocerca volvulus Bile acid receptor homolog 0.0007 0.0093 0.0681
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.037 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0007 0.0093 0.0093
Brugia malayi hypothetical protein 0.0004 0.0005 0.0007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0007 0.0093 0.0132
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0007 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0007 0.0093 0.0132
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0067 0.0121
Brugia malayi nuclear receptor RXR 0.0004 0.0005 0.0007
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0007 0.0093 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0067 0.0121
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.037 0.1349
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0113 0.2746 0.2746
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0007 0.0093 0.0093
Schistosoma mansoni steroid hormone receptor ad4bp 0.0007 0.0093 0.0093
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0007 0.0093 0.0093
Echinococcus granulosus tar DNA binding protein 0.0062 0.147 0.147
Loa Loa (eye worm) hypothetical protein 0.0004 0.0005 0.0007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0007 0.0093 0.0093
Entamoeba histolytica protein kinase, putative 0.0113 0.2746 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0004 0.0005 0.0005
Treponema pallidum hypothetical protein 0.0011 0.0188 0.5087
Schistosoma mansoni peptidyl-prolyl cis-trans isomerase G ppig 0.0224 0.553 0.553
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0007 0.0093 0.0132
Loa Loa (eye worm) hypothetical protein 0.0007 0.0093 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0007 0.0093 0.0132
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0123 0.0174
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0067 0.0121
Brugia malayi Steroid receptor seven-up type 2 0.0007 0.0093 0.0132
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0067 0.0121
Schistosoma mansoni hypothetical protein 0.0058 0.1368 0.1368
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7074 0.7074
Schistosoma mansoni hypothetical protein 0.0402 1 1
Echinococcus granulosus peptidyl prolyl isomerase G 0.0224 0.553 0.553
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase (cyclophilin- 40), putative 0.0112 0.2729 0.9937
Schistosoma mansoni protein kinase 0.0113 0.2746 0.2746
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.037 0.0524
Echinococcus multilocularis aurora kinase A 0.0113 0.2746 0.2746
Brugia malayi hypothetical protein 0.0286 0.7074 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.037 0.1349
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0007 0.0093 0.0132
Entamoeba histolytica protein kinase, putative 0.0113 0.2746 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.147 0.147
Schistosoma mansoni thyroid hormone receptor 0.0007 0.0093 0.0093
Schistosoma mansoni survival motor neuron protein 0.0058 0.1368 0.1368
Echinococcus multilocularis G protein signaling modulator 2 0.0011 0.0188 0.0188
Brugia malayi Nuclear hormone receptor-like 1 0.0007 0.0093 0.0132
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.037 0.1349
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0112 0.2729 0.9937
Loa Loa (eye worm) hypothetical protein 0.0286 0.7074 1
Leishmania major protein kinase, putative 0.0113 0.2746 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 306 % Activation of SMN expressed in HEK293 cells assessed as rate of induction by SMN2-promotor driven luciferase reporter gene assay relative to basal level ChEMBL. 21819082
Activity (binding) = 12.24 uM Activation of SMN expressed in HEK293 cells assessed as concentration required to reach 50% of maximum luciferase signal by SMN2-promotor driven luciferase reporter gene assay ChEMBL. 21819082
Potency (functional) 12.2411 uM PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Enhancers of SMN2 Splice Variant Expression for Further Probe SAR. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1474] 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

1 literature reference was collected for this gene.

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