Detailed information for compound 763496

Basic information

Technical information
  • TDR Targets ID: 763496
  • Name: 2-cyano-3-[2-(3-methylphenoxy)-4-oxopyrido[1, 2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl )prop-2-enamide
  • MW: 446.498 | Formula: C25H26N4O4
  • H donors: 1 H acceptors: 3 LogP: 2.88 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1c(Oc2cccc(c2)C)nc2n(c1=O)cccc2)C(=O)NCCCOC(C)C
  • InChi: 1S/C25H26N4O4/c1-17(2)32-13-7-11-27-23(30)19(16-26)15-21-24(33-20-9-6-8-18(3)14-20)28-22-10-4-5-12-29(22)25(21)31/h4-6,8-10,12,14-15,17H,7,11,13H2,1-3H3,(H,27,30)/b19-15+
  • InChiKey: YBFHVPMYZYPXPM-XDJHFCHBSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-2-cyano-3-[2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide
  • (E)-2-cyano-N-(3-isopropoxypropyl)-3-[2-(3-methylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • 2-cyano-N-(3-isopropoxypropyl)-3-[2-(3-methylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
  • (E)-2-cyano-N-(3-isopropoxypropyl)-3-[2-(3-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]prop-2-enamide
  • 2-cyano-N-(3-isopropoxypropyl)-3-[2-(3-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]prop-2-enamide
  • (E)-2-cyano-N-(3-isopropoxypropyl)-3-[4-keto-2-(3-methylphenoxy)pyrido[1,2-a]pyrimidin-3-yl]acrylamide
  • 2-cyano-N-(3-isopropoxypropyl)-3-[4-keto-2-(3-methylphenoxy)pyrido[1,2-a]pyrimidin-3-yl]acrylamide
  • 2-cyano-3-[2-(3-methylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide
  • (E)-2-cyano-3-[2-(3-methylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-N-(3-propan-2-yloxypropyl)prop-2-enamide
  • STOCK4S-48600

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
Loa Loa (eye worm) hypothetical protein 0.0011 0.015 0.0121
Loa Loa (eye worm) hypothetical protein 0.0023 0.0531 0.0503
Brugia malayi jmjC domain containing protein 0.0016 0.0291 0.0296
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0395 0.2375
Loa Loa (eye worm) hypothetical protein 0.0023 0.0531 0.0503
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0029 0.0007
Brugia malayi CXXC zinc finger family protein 0.003 0.0786 0.0857
Echinococcus granulosus cpg binding protein 0.0032 0.0844 0.0824
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0728 0.0707
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0475 0.1311
Trichomonas vaginalis ran, putative 0.0021 0.0475 0.0536
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0475 0.4963
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0531 0.06
Loa Loa (eye worm) hypothetical protein 0.0016 0.0291 0.0262
Echinococcus granulosus phd:f box containing protein 0.0016 0.0291 0.0269
Echinococcus multilocularis acetylcholinesterase 0.0134 0.4275 0.4263
Plasmodium vivax importin-beta 2, putative 0.0029 0.0728 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0547 0.0617
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1926 0.1908
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0291 0.0269
Schistosoma mansoni gliotactin 0.0023 0.0531 0.051
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0475 0.0454
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0531 0.051
Onchocerca volvulus 0.0048 0.1373 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0531 0.051
Loa Loa (eye worm) hypothetical protein 0.0016 0.0291 0.0262
Schistosoma mansoni acetylcholinesterase 0.0023 0.0531 0.051
Entamoeba histolytica Ran family GTPase 0.0021 0.0475 0.5279
Schistosoma mansoni hypothetical protein 0.0168 0.5401 0.5391
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.1782 0.1764
Brugia malayi Carboxylesterase family protein 0.0023 0.0531 0.0568
Loa Loa (eye worm) hypothetical protein 0.0023 0.0531 0.0503
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0084 0.0062
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4275 0.4259
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.015 0.0128
Loa Loa (eye worm) hypothetical protein 0.0023 0.0531 0.0503
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0547 0.0617
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0475 0.0454
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0395 0.0446
Loa Loa (eye worm) hypothetical protein 0.0134 0.4275 0.4259
Brugia malayi jmjC domain containing protein 0.006 0.1782 0.1986
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0291 0.0269
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0008 0.0029 0.0007
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0291 0.0269
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0531 1
Loa Loa (eye worm) carboxylesterase 0.0023 0.0531 0.0503
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0531 0.051
Loa Loa (eye worm) carboxylesterase 0.0134 0.4275 0.4259
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0349 0.0327
Schistosoma mansoni ap endonuclease 0.0019 0.0395 0.0373
Echinococcus granulosus voltage gated potassium channel 0.0011 0.015 0.0128
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.015 0.0137
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0395 0.0414
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0531 0.051
Brugia malayi Importin beta-1 subunit 0.0029 0.0728 0.0792
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.015 0.0128
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0134 0.4275 0.4263
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.7668 0.7661
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0395 0.0373
Echinococcus granulosus acetylcholinesterase 0.0134 0.4275 0.4263
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.015 0.0128
Echinococcus granulosus carboxylesterase 5A 0.0134 0.4275 0.4263
Brugia malayi glutaminase DH11.1 0.0271 0.8855 1
Plasmodium falciparum importin beta, putative 0.0029 0.0728 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0662 0.8485
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.015 0.0128
Schistosoma mansoni ran 0.0021 0.0475 0.0454
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.1203 0.1183
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0008 0.0029 0.0007
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0084 0.0062
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.1082 0.1193
Loa Loa (eye worm) hypothetical protein 0.0234 0.7629 0.7622
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0395 0.2375
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.017 0.0148
Loa Loa (eye worm) hypothetical protein 0.0016 0.0291 0.0262
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0291 0.0269
Schistosoma mansoni hypothetical protein 0.0168 0.5401 0.5391
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0291 0.0262
Brugia malayi jmjC domain containing protein 0.0016 0.0291 0.0296
Schistosoma mansoni hypothetical protein 0.0012 0.017 0.0148
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.1724 0.1706
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0291 0.0269
Loa Loa (eye worm) hypothetical protein 0.0029 0.0728 0.0701
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0395 0.0373
Brugia malayi jmjC domain containing protein 0.0016 0.0291 0.0296
Echinococcus granulosus importin subunit beta 1 0.0029 0.0728 0.0707
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0475 1
Echinococcus multilocularis snurportin 1 0.0305 1 1
Brugia malayi jmjC domain containing protein 0.0016 0.0291 0.0296
Echinococcus granulosus neuroligin 0.0023 0.0531 0.051
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0531 0.051
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.0996 0.1125
Leishmania major hypothetical protein, conserved 0.0027 0.0662 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0029 0.0007
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.1782 0.1764
Echinococcus granulosus geminin 0.0168 0.5401 0.5391
Schistosoma mansoni glutaminase 0.0271 0.8855 0.8852
Brugia malayi RNA, U transporter 1 0.0081 0.2495 0.2794
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.1724 0.1706
Brugia malayi Carboxylesterase family protein 0.0023 0.0531 0.0568
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.015 0.0128
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0395 0.2799
Brugia malayi hypothetical protein 0.0234 0.7629 0.8611
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0029 0.0007
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.0531 0.0161
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0029 0.0033
Echinococcus multilocularis carboxylesterase 5A 0.0134 0.4275 0.4263
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0475 0.0447
Brugia malayi Carboxylesterase family protein 0.0023 0.0531 0.0568
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0395 0.5
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0475 0.4211
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0531 0.051
Schistosoma mansoni cpg binding protein 0.0032 0.0844 0.0824
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0662 1
Schistosoma mansoni cpg binding protein 0.0032 0.0844 0.0824
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0662 0.8485
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0008 0.0029 0.0007
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.1203 0.1183
Entamoeba histolytica hypothetical protein 0.0023 0.0547 1
Loa Loa (eye worm) glutaminase 2 0.0271 0.8855 0.8851
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0395 0.2799
Brugia malayi hypothetical protein 0.0023 0.0531 0.0568
Toxoplasma gondii exonuclease III APE 0.0019 0.0395 0.0739
Loa Loa (eye worm) acetylcholinesterase 1 0.0134 0.4275 0.4259
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0475 0.4211
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.017 0.0148
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0291 0.0269
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0531 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.1724 0.1706
Schistosoma mansoni cpg binding protein 0.003 0.0786 0.0766
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0531 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0728 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0662 0.8485
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0728 1
Schistosoma mansoni jumonji domain containing protein 0.0058 0.1724 0.1706
Brugia malayi follicle stimulating hormone receptor 0.0236 0.7668 0.8656
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0029 0.0007
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.1695 1
Loa Loa (eye worm) glutaminase 0.0271 0.8855 0.8851
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0547 0.0617
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0531 0.051
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.1782 0.1758
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0475 0.4963
Brugia malayi jmjC domain containing protein 0.0058 0.1724 0.1921
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0531 0.051
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0662 0.8485
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0084 0.0055
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.1082 0.1062
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.0996 0.1125
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0291 0.0269
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0395 0.0366
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0531 0.06
Loa Loa (eye worm) hypothetical protein 0.0027 0.0662 0.0634
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0475 0.0505
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0395 0.0446
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0662 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0547 0.6898
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0008 0.0029 0.0007
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0291 0.0269
Loa Loa (eye worm) hypothetical protein 0.0023 0.0531 0.0503
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0029 0.0007
Echinococcus multilocularis neuroligin 0.0023 0.0531 0.051
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0786 0.0759
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0547 0.6898
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0291 0.0269
Brugia malayi hypothetical protein 0.0017 0.0346 0.0358
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0531 0.051
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0291 0.0262
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.7629 0.7623
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0531 0.051
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0475 0.4211
Schistosoma mansoni survival motor neuron protein 0.0048 0.1373 0.1353
Onchocerca volvulus 0.003 0.0786 0.3031
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0395 0.2375
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0291 0.0269
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0029 0.0007
Leishmania major GTP-binding protein, putative 0.0021 0.0475 0.4963
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0531 0.051
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0662 0.2641
Echinococcus multilocularis geminin 0.0168 0.5401 0.5391
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0291 0.0269
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0029 0.0007
Brugia malayi Carboxylesterase family protein 0.0134 0.4275 0.4811
Trichomonas vaginalis glutaminase, putative 0.0271 0.8855 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.1082 0.1056
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0029 0.0007
Loa Loa (eye worm) hypothetical protein 0.0023 0.0531 0.0503
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1373 0.1522
Schistosoma mansoni ap endonuclease 0.0019 0.0395 0.0373
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0349 0.0327
Loa Loa (eye worm) hypothetical protein 0.0034 0.0909 0.0882
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0029 0.0007
Schistosoma mansoni hypothetical protein 0.0305 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0029 0.0007
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.7629 0.7623
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.008 0.0057
Schistosoma mansoni ran 0.0021 0.0475 0.0454
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0395 0.5
Brugia malayi Carboxylesterase family protein 0.0134 0.4275 0.4811
Brugia malayi hypothetical protein 0.0027 0.0662 0.0717
Loa Loa (eye worm) hypothetical protein 0.0023 0.0531 0.0503
Brugia malayi Carboxylesterase family protein 0.0023 0.0531 0.0568
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0291 0.0269
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0728 0.3112
Mycobacterium ulcerans glutaminase 0.0271 0.8855 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.1782 0.1764
Echinococcus multilocularis cpg binding protein 0.0032 0.0844 0.0824
Schistosoma mansoni importin beta-1 0.0029 0.0728 0.0707
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0029 0.0007
Echinococcus granulosus acetylcholinesterase 0.0134 0.4275 0.4263
Echinococcus multilocularis acetylcholinesterase 0.0134 0.4275 0.4263
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0291 0.0262
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0008 0.0029 0.0007
Loa Loa (eye worm) carboxylesterase 0.0023 0.0531 0.0503
Schistosoma mansoni hypothetical protein 0.0048 0.1373 0.1353
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0029 0.0033
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0395 0.2799
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0029 0.0007
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.1082 0.1062

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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