Detailed information for compound 1611398

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.54 | Formula: C27H31NO3
  • H donors: 2 H acceptors: 1 LogP: 5.53 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1OCCNC[C@H]1CCC([C@@H]1O)(c1ccccc1)c1ccccc1
  • InChi: 1S/C27H31NO3/c1-30-24-14-8-9-15-25(24)31-19-18-28-20-21-16-17-27(26(21)29,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,21,26,28-29H,16-20H2,1H3/t21-,26-/m1/s1
  • InChiKey: LGNZQRMYJQAMTQ-QFQXNSOFSA-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 PIKK family atypical protein kinase 0.1396 0.2524 0.2524
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0367 0.0501 0.0489
Trichomonas vaginalis PIKK family atypical protein kinase 0.3094 0.5862 0.5862
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0346 0.0459 0.0459
Schistosoma mansoni voltage-gated potassium channel 0.0132 0.0037 0.0025
Leishmania major phosphatidylinositol 3-kinase, putative 0.1773 0.3265 0.3257
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0484 0.073 0.073
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0121 0.0016 0.0003
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0367 0.0501 0.006
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0346 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.105 0.1843 0.1833
Trichomonas vaginalis PIKK family atypical protein kinase 0.3374 0.6412 0.6412
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1069 0.1069
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0735 0.1223 0.1212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5199 1 1
Entamoeba histolytica protein kinase rad3, putative 0.1003 0.175 0.174
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1785 0.3288 0.3279
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.041 0.0585 0.0573
Giardia lamblia GTOR 0.5199 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0389 0.0543 0.0532
Trichomonas vaginalis PIKK family atypical protein kinase 0.4428 0.8485 0.8485
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0346 0.0459 0.0447
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0367 0.0501 0.0489
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0367 0.0501 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0367 0.0501 0.0489
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5199 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1785 0.3288 0.3288
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0367 0.0501 0.0501
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.055 0.0859 0.0859
Loa Loa (eye worm) phosphatidylinositol kinase 0.0346 0.0459 0.0447
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0476 0.0714 0.0703
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0367 0.0501 0.0489
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2451 0.4597 0.4591
Loa Loa (eye worm) phosphatidylinositol 3 0.0346 0.0459 0.0447
Trichomonas vaginalis PIKK family atypical protein kinase 0.4144 0.7927 0.7927
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0657 0.1069 0.1059
Trichomonas vaginalis PIKK family atypical protein kinase 0.3878 0.7403 0.7403
Trichomonas vaginalis PIKK family atypical protein kinase 0.2828 0.5338 0.5338
Leishmania major phosphatidylinositol 3-kinase, putative 0.0367 0.0501 0.0489
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.041 0.0585 0.0585
Loa Loa (eye worm) phosphatidylinositol 3 0.5199 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0346 0.0459 0.0447
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0346 0.0459 0.915
Echinococcus granulosus serine protein kinase ATM 0.1003 0.175 0.174
Loa Loa (eye worm) phosphatidylinositol 3 0.0346 0.0459 0.0447
Trichomonas vaginalis PIKK family atypical protein kinase 0.1003 0.175 0.175
Trichomonas vaginalis PIKK family atypical protein kinase 0.2828 0.5338 0.5338
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.041 0.0585 0.0573
Trichomonas vaginalis PIKK family atypical protein kinase 0.4144 0.7927 0.7927
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0367 0.0501 0.0489
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.077 0.1293 0.1283
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0346 0.0459 0.915
Loa Loa (eye worm) phosphatidylinositol 3 0.1785 0.3288 0.3279
Echinococcus multilocularis serine protein kinase ATM 0.1003 0.175 0.174
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0346 0.0459 0.0447
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.041 0.0585 0.0573
Trichomonas vaginalis PIKK family atypical protein kinase 0.1003 0.175 0.175
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.055 0.0859 0.0848
Trichomonas vaginalis PIKK family atypical protein kinase 0.4144 0.7927 0.7927
Onchocerca volvulus 0.0346 0.0459 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0346 0.0459 0.0447
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1003 0.175 0.174
Schistosoma mansoni hypothetical protein 0.0346 0.0459 0.0447
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0346 0.0459 0.0447
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0367 0.0501 0.0489
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0346 0.0459 0.0447
Trichomonas vaginalis PIKK family atypical protein kinase 0.3878 0.7403 0.7403
Entamoeba histolytica hypothetical protein 0.0507 0.0775 0.0764
Trichomonas vaginalis PIKK family atypical protein kinase 0.5199 1 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1003 0.175 0.174
Trichomonas vaginalis PIKK family atypical protein kinase 0.2828 0.5338 0.5338
Giardia lamblia Hypothetical protein 0.0346 0.0459 0.0447
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.062 0.0998 0.0987
Trichomonas vaginalis PIKK family atypical protein kinase 0.2824 0.533 0.533
Schistosoma mansoni voltage-gated potassium channel 0.0132 0.0037 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0657 0.1069 0.1069
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0507 0.0775 0.0764
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.041 0.0585 0.0573
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0119 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.3094 0.5862 0.5862
Plasmodium vivax hypothetical protein, conserved 0.0346 0.0459 0.915
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0346 0.0459 0.0447
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.055 0.0859 0.0848
Trypanosoma cruzi target of rapamycin kinase 3 0.4148 0.7935 0.7932
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0367 0.0501 0.0501
Trichomonas vaginalis PIKK family atypical protein kinase 0.3108 0.5888 0.5888
Loa Loa (eye worm) hypothetical protein 0.077 0.1293 0.1283
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0735 0.1223 0.1212
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0367 0.0501 0.0489
Trichomonas vaginalis conserved hypothetical protein 0.1117 0.1974 0.1974
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5199 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0204 0.0179 0.0167
Loa Loa (eye worm) hypothetical protein 0.0476 0.0714 0.0703
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0121 0.0016 0.0003
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0433 0.063 0.0618
Echinococcus multilocularis 0.0346 0.0459 0.0447
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.041 0.0585 0.0585
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1003 0.175 0.174
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5199 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.041 0.0585 0.0585
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0121 0.0016 0.0003
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1827 0.3371 0.3363
Trichomonas vaginalis PIKK family atypical protein kinase 0.3108 0.5888 0.5888
Trichomonas vaginalis PIKK family atypical protein kinase 0.1773 0.3265 0.3265
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1827 0.3371 0.3363
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1827 0.3371 0.3363
Leishmania major phosphatidylinositol 4-kinase, putative 0.0346 0.0459 0.0447
Toxoplasma gondii FATC domain-containing protein 0.1003 0.175 0.1859
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5199 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1773 0.3265 0.3265
Mycobacterium tuberculosis Conserved hypothetical protein 0.0346 0.0459 0.5
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1003 0.175 0.174
Trichomonas vaginalis PIKK family atypical protein kinase 0.4144 0.7927 0.7927
Brugia malayi FAT domain containing protein 0.077 0.1293 0.1283
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1827 0.3371 0.3363
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0367 0.0501 0.0489
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1827 0.3371 0.3363
Plasmodium vivax hypothetical protein 0.0346 0.0459 0.915
Leishmania major hypothetical protein, conserved 0.0443 0.065 0.0639
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0346 0.0459 0.0447
Trichomonas vaginalis PIKK family atypical protein kinase 0.3878 0.7403 0.7403
Toxoplasma gondii target of rapamycin (TOR), putative 0.3878 0.7403 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3108 0.5888 0.5888
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0346 0.0459 0.0447
Entamoeba histolytica hypothetical protein 0.0346 0.0459 0.0447
Trichomonas vaginalis PIKK family atypical protein kinase 0.2824 0.533 0.533
Trichomonas vaginalis PIKK family atypical protein kinase 0.0346 0.0459 0.0459
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0367 0.0501 0.0489
Trichomonas vaginalis PIKK family atypical protein kinase 0.5199 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3878 0.7403 0.7403
Trichomonas vaginalis PIKK family atypical protein kinase 0.0346 0.0459 0.0459
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1003 0.175 0.174
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0367 0.0501 0.0489
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1827 0.3371 0.3363
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0367 0.0501 0.0489
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0367 0.0501 0.006
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0346 0.0459 0.0447
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.055 0.0859 0.0848
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0185 0.0142 0.013
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0346 0.0459 0.915
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0735 0.1223 0.1212
Giardia lamblia Phosphatidylinositol 4-kinase 0.0346 0.0459 0.0447
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.055 0.0859 0.0859
Entamoeba histolytica hypothetical protein 0.1003 0.175 0.174
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5199 1 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4148 0.7935 0.7932
Loa Loa (eye worm) hypothetical protein 0.1117 0.1974 0.1964
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.055 0.0859 0.0848
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0346 0.0459 0.915
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0346 0.0459 0.0447
Trichomonas vaginalis PIKK family atypical protein kinase 0.1014 0.1773 0.1773
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0119 0.0012 0.5
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1117 0.1974 0.2181
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5199 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0346 0.0459 0.0447
Trichomonas vaginalis conserved hypothetical protein 0.077 0.1293 0.1293
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5199 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5199 1 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0346 0.0459 0.915
Onchocerca volvulus 0.0346 0.0459 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.041 0.0585 0.0573
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0476 0.0714 0.0703
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0346 0.0459 0.0447
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0346 0.0459 0.0447
Trichomonas vaginalis PIKK family atypical protein kinase 0.3878 0.7403 0.7403
Trichomonas vaginalis PIKK family atypical protein kinase 0.3878 0.7403 0.7403
Trichomonas vaginalis PIKK family atypical protein kinase 0.3488 0.6636 0.6636
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0346 0.0459 0.0447
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1003 0.175 0.174
Trichomonas vaginalis immunophilin, putative 0.0119 0.0012 0.0012
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4148 0.7935 0.7932
Schistosoma mansoni hypothetical protein 0.077 0.1293 0.1283
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0346 0.0459 0.0447
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0476 0.0714 0.0703
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0119 0.0012 0.0012
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0441 0.0646 0.0634
Entamoeba histolytica hypothetical protein 0.0346 0.0459 0.0447
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0121 0.0016 0.0003
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.055 0.0859 0.0859
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1003 0.175 0.174
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.062 0.0998 0.0987
Echinococcus multilocularis Zinc finger, PHD finger 0.0367 0.0501 0.0489
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0367 0.0501 0.0489
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0119 0.0012 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3878 0.7403 0.7403
Schistosoma mansoni fkbp-rapamycin associated protein 0.1003 0.175 0.174
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1003 0.175 0.174
Entamoeba histolytica hypothetical protein 0.0346 0.0459 0.0447
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0346 0.0459 0.0447
Loa Loa (eye worm) hypothetical protein 0.1003 0.175 0.174
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1785 0.3288 0.3279
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0346 0.0459 0.0447
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1773 0.3265 0.3257
Loa Loa (eye worm) hypothetical protein 0.0657 0.1069 0.1059
Leishmania major hypothetical protein, unknown function 0.0346 0.0459 0.0447
Trichomonas vaginalis fk506-binding protein, putative 0.0119 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.4144 0.7927 0.7927
Leishmania major phosphatidylinositol kinase related protein, putative 0.0346 0.0459 0.0447
Trichomonas vaginalis PIKK family atypical protein kinase 0.2828 0.5338 0.5338
Trichomonas vaginalis PIKK family atypical protein kinase 0.5199 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2824 0.533 0.533
Leishmania major phosphatidylinositol kinase, putative 0.0346 0.0459 0.0447
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0346 0.0459 0.0447
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1014 0.1773 0.1763
Trichomonas vaginalis PIKK family atypical protein kinase 0.1773 0.3265 0.3265
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.077 0.1293 0.1283
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0367 0.0501 0.0501
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2171 0.4047 0.404
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0346 0.0459 0.0447
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0484 0.073 0.073
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5199 1 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0367 0.0501 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.041 0.0585 0.0573
Loa Loa (eye worm) phosphatidylinositol 3 0.0346 0.0459 0.0447
Trichomonas vaginalis PIKK family atypical protein kinase 0.1773 0.3265 0.3265
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5199 1 1
Loa Loa (eye worm) hypothetical protein 0.0346 0.0459 0.0447
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0367 0.0501 0.0489
Loa Loa (eye worm) phosphatidylinositol 3 0.0692 0.1138 0.1128
Mycobacterium leprae conserved hypothetical protein 0.0346 0.0459 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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