Detailed information for compound 732121

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.419 | Formula: C19H24N4O3
  • H donors: 1 H acceptors: 3 LogP: 1.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)CN1CCC(CC1)n1nccc1NC(=O)C
  • InChi: 1S/C19H24N4O3/c1-14(24)21-18-7-10-20-23(18)17-8-11-22(12-9-17)13-15-3-5-16(6-4-15)19(25)26-2/h3-7,10,17H,8-9,11-13H2,1-2H3,(H,21,24)
  • InChiKey: MGQLKGLXYDKGQA-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
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0212 0.0491
Schistosoma mansoni survival motor neuron protein 0.0052 0.0366 0.0342
Loa Loa (eye worm) hypothetical protein 0.0039 0.0212 0.0619
Trypanosoma cruzi hexose transporter, putative 0.0063 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0039 0.0212 0.0619
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0212 0.2535
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0212 0.0491
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0212 0.2535
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0062 0.0484 0.0485
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0212 0.0483
Entamoeba histolytica protein kinase, putative 0.0062 0.0484 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0061 0.0469 0.0467
Trichomonas vaginalis CAMK family protein kinase 0.0062 0.0484 0.1535
Brugia malayi Pre-SET motif family protein 0.0217 0.2333 0.83
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0062 0.0484 0.1607
Plasmodium vivax proline--tRNA ligase, putative 0.0071 0.0589 0.051
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0061 0.0469 0.9457
Loa Loa (eye worm) beta-lactamase 0.0039 0.0212 0.0619
Trichomonas vaginalis esterase, putative 0.0039 0.0212 0.0491
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0029 0.0084 0.2954
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0045 0.0283 0.395
Leishmania major glucose transporter, lmgt2 0.0063 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0039 0.0212 0.0619
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0493 0.1571
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0212 0.0367
Schistosoma mansoni protein kinase 0.0062 0.0484 0.0485
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0493 0.1571
Trypanosoma brucei glucose transporter, putative 0.0063 0.0493 0.8107
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0212 0.0483
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.004 0.0217 0.0511
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0029 0.0084 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0212 0.0483
Leishmania major hypothetical protein, conserved 0.0039 0.0212 0.2535
Onchocerca volvulus 0.0052 0.0366 0.1083
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0045 0.0283 0.0766
Toxoplasma gondii facilitative glucose transporter GT1 0.0203 0.216 0.3201
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0045 0.0283 0.3046
Toxoplasma gondii ABC1 family protein 0.0039 0.0212 0.0197
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0212 0.7476
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0062 0.0484 0.1607
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0062 0.0484 0.0485
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0084 0.0153
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0203 0.216 0.2518
Chlamydia trachomatis lysine--tRNA ligase 0.0045 0.0283 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0062 0.0484 0.0485
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0212 0.0483
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0061 0.0469 0.1421
Entamoeba histolytica protein kinase, putative 0.0062 0.0484 1
Plasmodium falciparum calcium-dependent protein kinase 2 0.0062 0.0484 0.0404
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0061 0.0469 0.0467
Brugia malayi beta-lactamase family protein 0.0039 0.0212 0.0473
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0045 0.0283 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0062 0.0484 0.0617
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0062 0.0484 0.0404
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0102 0.0022
Schistosoma mansoni hypothetical protein 0.0039 0.0208 0.0151
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0062 0.0484 0.0485
Loa Loa (eye worm) hypothetical protein 0.0039 0.0212 0.0619
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0208 0.0151
Mycobacterium ulcerans hypothetical protein 0.0039 0.0212 0.7476
Onchocerca volvulus 0.0248 0.2691 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0212 0.0619
Plasmodium falciparum lysine--tRNA ligase 0.0045 0.0283 0.0201
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Plasmodium falciparum calcium-dependent protein kinase 5 0.0062 0.0484 0.0404
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0115 0.0038
Mycobacterium leprae Probable lipase LipE 0.0039 0.0212 0.0367
Onchocerca volvulus 0.0039 0.0212 0.0491
Trypanosoma brucei glucose transporter, putative 0.0063 0.0493 0.8107
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0061 0.0469 0.1477
Trypanosoma brucei glucose transporter 1E 0.0063 0.0493 0.8107
Schistosoma mansoni protein kinase 0.0062 0.0484 0.0485
Plasmodium falciparum proline--tRNA ligase 0.0071 0.0589 0.051
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0484 0.0485
Loa Loa (eye worm) hypothetical protein 0.0062 0.0484 0.1607
Trypanosoma brucei glucose transporter, putative 0.0063 0.0493 0.8107
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0203 0.216 0.2518
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0115 0.0038
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Toxoplasma gondii protein kinase, putative 0.0573 0.6571 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0208 0.0151
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Trypanosoma brucei THT1 - hexose transporter, putative 0.0063 0.0493 0.8107
Leishmania major lysyl-tRNA synthetase, putative 0.0045 0.0283 0.395
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Trichomonas vaginalis glucose transporter, putative 0.0063 0.0493 0.1571
Mycobacterium ulcerans sugar transporter 0.0029 0.0084 0.2954
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0208 0.0151
Mycobacterium tuberculosis Conserved protein 0.0039 0.0212 0.0483
Echinococcus multilocularis lysyl tRNA synthetase 0.0045 0.0283 0.0242
Brugia malayi beta-lactamase 0.0039 0.0212 0.0473
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0038 0.0202 0.0447
Schistosoma mansoni hypothetical protein 0.0052 0.0366 0.0342
Brugia malayi Cam kinase protein 1 0.0062 0.0484 0.1476
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0045 0.0283 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0333 0.1059
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0203 0.216 0.2518
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Loa Loa (eye worm) hypothetical protein 0.0256 0.2794 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0115 0.0038
Treponema pallidum prolyl-tRNA synthetase 0.0022 0 0.5
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0061 0.0469 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0115 0.0038
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0071 0.0589 1
Plasmodium vivax hexose transporter 0.0203 0.216 0.2094
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0038 0.0202 0.0447
Trypanosoma brucei glucose transporter, putative 0.0063 0.0493 0.8107
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0212 0.0155
Trypanosoma brucei glucose transporter, putative 0.0063 0.0493 0.8107
Mycobacterium ulcerans integral membrane transport protein 0.0029 0.0084 0.2954
Trypanosoma cruzi hexose transporter, putative 0.0063 0.0493 0.8107
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.2794 0.3287
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0212 0.0491
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0203 0.216 0.2518
Loa Loa (eye worm) hypothetical protein 0.0031 0.0115 0.0268
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0212 0.0155
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0061 0.0469 0.0467
Plasmodium vivax CDK-related protein kinase 6, putative 0.0861 1 1
Echinococcus granulosus lysyl tRNA synthetase 0.0045 0.0283 0.0242
Loa Loa (eye worm) sugar transporter 0.0029 0.0084 0.0153
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0203 0.216 0.2518
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0212 0.0155
Schistosoma mansoni protein kinase 0.0062 0.0484 0.0485
Plasmodium falciparum hexose transporter 0.0203 0.216 0.2094
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0115 0.0038
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0062 0.0484 0.7919
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0062 0.0484 0.0485
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0212 0.0483
Brugia malayi Pre-SET motif family protein 0.0031 0.0115 0.0117
Onchocerca volvulus 0.0039 0.0212 0.0491
Leishmania major glucose transporter, lmgt3 0.0063 0.0493 0.8107
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0203 0.216 0.2518
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0062 0.0484 0.0404
Toxoplasma gondii lysine-tRNA ligase 0.0045 0.0283 0.0308
Echinococcus granulosus General substrate transporter 0.0174 0.1821 0.2106
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0203 0.216 0.2518
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0062 0.0484 0.0617
Trypanosoma brucei glucose transporter, putative 0.0063 0.0493 0.8107
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0062 0.0484 0.1476
Giardia lamblia Prolyl-tRNA synthetase 0.0061 0.0469 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0062 0.0484 0.0485
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0062 0.0484 0.0617
Trypanosoma brucei glucose transporter 2A 0.0063 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0045 0.0283 0.0878
Echinococcus granulosus calcium dependent protein kinase 0.0058 0.0438 0.043
Loa Loa (eye worm) sugar transporter 0.0203 0.216 0.7697
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0084 0.0153
Plasmodium falciparum calcium-dependent protein kinase 4 0.0062 0.0484 0.0404
Mycobacterium tuberculosis Conserved protein 0.0039 0.0212 0.0483
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0212 0.7476
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0328 0.3649 0.3595
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0071 0.0589 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.2333 0.8326
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0062 0.0484 0.0404
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0493 0.1571
Plasmodium falciparum calcium-dependent protein kinase 3 0.0062 0.0484 0.0404
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0071 0.0589 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0115 0.0038
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0212 0.0483
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0493 0.1571
Loa Loa (eye worm) hypothetical protein 0.0061 0.0469 0.1553
Schistosoma mansoni glucose transport protein 0.0203 0.216 0.2518
Schistosoma mansoni hypothetical protein 0.0203 0.216 0.2518
Echinococcus granulosus microtubule associated protein 2 0.0721 0.833 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0063 0.0493 0.8107
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0212 0.0473
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0212 0.2535
Loa Loa (eye worm) hypothetical protein 0.0061 0.0469 0.1553
Schistosoma mansoni lysyl-tRNA synthetase 0.0045 0.0283 0.0242
Echinococcus multilocularis calcium dependent protein kinase 0.0058 0.0438 0.043
Leishmania major protein kinase, putative 0.0062 0.0484 0.7919
Schistosoma mansoni lysyl-tRNA synthetase 0.0045 0.0283 0.0242
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0029 0.0084 0.2954
Mycobacterium tuberculosis Conserved protein 0.0039 0.0212 0.0483
Trypanosoma cruzi hexose transporter, putative 0.0063 0.0493 0.8107
Trichomonas vaginalis set domain proteins, putative 0.0248 0.2691 1
Brugia malayi hypothetical protein 0.0039 0.0208 0.0459
Brugia malayi lysyl-tRNA synthetase 0.0045 0.0283 0.0736
Mycobacterium ulcerans lipase LipD 0.0039 0.0212 0.7476
Trichomonas vaginalis sugar transporter, putative 0.0063 0.0493 0.1571
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0062 0.0484 0.0485
Leishmania major glucose transporter, lmgt1 0.0063 0.0493 0.8107
Schistosoma mansoni microtubule-associated protein tau 0.0721 0.833 1
Trypanosoma brucei glucose transporter, putative 0.0063 0.0493 0.8107
Plasmodium falciparum calcium-dependent protein kinase 1 0.0062 0.0484 0.0404
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0251 0.2733 1
Onchocerca volvulus 0.0039 0.0212 0.0491
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Plasmodium vivax lysine--tRNA ligase, putative 0.0045 0.0283 0.0201
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0212 0.0491
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0061 0.0469 0.0467
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0062 0.0484 0.0485
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0115 0.0038
Mycobacterium ulcerans beta-lactamase 0.0039 0.0212 0.7476
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0071 0.0589 0.0779
Trypanosoma brucei THT1 - hexose transporter, putative 0.0063 0.0493 0.8107
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.2794 0.3287
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0071 0.0589 1
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0212 0.0129
Schistosoma mansoni glucose transport protein 0.0203 0.216 0.2518
Plasmodium falciparum mitogen-activated protein kinase 2 0.0328 0.3649 0.3595
Echinococcus multilocularis General substrate transporter 0.0174 0.1821 0.2106
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0212 0.0483
Loa Loa (eye worm) hypothetical protein 0.0039 0.0212 0.0619
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0212 0.0619
Brugia malayi Sugar transporter family protein 0.0203 0.216 0.7662
Echinococcus multilocularis microtubule associated protein 2 0.0721 0.833 1
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0328 0.3649 0.5495
Trichomonas vaginalis glucose transporter, putative 0.0063 0.0493 0.1571
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0212 0.0491
Trypanosoma brucei glucose transporter, putative 0.0063 0.0493 0.8107
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0071 0.0589 1
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.216 0.7965
Plasmodium falciparum protein kinase 7 0.0573 0.6571 0.6542
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0154 0.1383
Trypanosoma cruzi hexose transporter 0.0063 0.0493 0.8107
Plasmodium vivax SET domain protein, putative 0.0031 0.0115 0.0032
Plasmodium vivax calcium-dependent protein kinase, putative 0.0062 0.0484 0.0404
Trypanosoma brucei THT1 - hexose transporter, putative 0.0063 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0061 0.0469 0.1421
Brugia malayi hypothetical protein 0.0256 0.2794 1
Entamoeba histolytica hypothetical protein 0.0045 0.0283 0.2729
Onchocerca volvulus 0.0031 0.0115 0.0121
Schistosoma mansoni glucose transport protein 0.0203 0.216 0.2518
Giardia lamblia Lysyl-tRNA synthetase 0.0045 0.0283 0.5182
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0203 0.216 0.2518
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0153
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0115 0.0049
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0366 0.1042
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0045 0.0283 0.395
Brugia malayi beta-lactamase family protein 0.0039 0.0212 0.0473
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0212 0.0155

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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