Detailed information for compound 1742942

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.365 | Formula: C14H25N3O6
  • H donors: 4 H acceptors: 5 LogP: -2.8 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)C)(CC)CC
  • InChi: 1S/C14H25N3O6/c1-5-14(6-2,13(22)23-4)17-11(20)8(3)16-12(21)9(15)7-10(18)19/h8-9H,5-7,15H2,1-4H3,(H,16,21)(H,17,20)(H,18,19)/t8-,9-/m0/s1
  • InChiKey: XYPPUCBUADTJCA-IUCAKERBSA-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
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0242 0.2072 0.2064
Onchocerca volvulus 0.0083 0.0519 0.2145
Toxoplasma gondii PHD-finger domain-containing protein 0.0261 0.2251 1
Brugia malayi Animal haem peroxidase family protein 0.0083 0.0519 0.0544
Schistosoma mansoni transcription intermediary factor 1-related 0.0241 0.206 0.2275
Schistosoma mansoni hypothetical protein 0.0068 0.0378 0.0407
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0085 0.0544 1
Echinococcus granulosus ATPase family AAA domain containing protein 2B 0.0033 0.0036 0.0036
Toxoplasma gondii bromodomain-containing protein 0.0033 0.0036 0.0114
Echinococcus multilocularis PH interacting protein 0.0033 0.0036 0.0026
Brugia malayi Bromodomain containing protein 0.0274 0.2378 0.2538
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0069 0.0389 0.0378
Echinococcus multilocularis 0.0033 0.0036 0.0026
Loa Loa (eye worm) hypothetical protein 0.0033 0.0036 0.0052
Plasmodium vivax bromodomain protein, putative 0.0033 0.0036 0.0114
Onchocerca volvulus 0.0033 0.0036 0.0108
Brugia malayi F/Y-rich N-terminus family protein 0.0092 0.0615 0.0647
Schistosoma mansoni bromodomain containing protein 0.0033 0.0036 0.0028
Onchocerca volvulus 0.0068 0.0378 0.155
Onchocerca volvulus 0.0274 0.2378 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.011 0.0099
Loa Loa (eye worm) bromodomain containing protein 0.0033 0.0036 0.0052
Toxoplasma gondii hypothetical protein 0.0068 0.0378 0.1638
Echinococcus multilocularis bromodomain containing protein 8 0.0033 0.0036 0.0026
Brugia malayi PHD-finger family protein 0.0039 0.0096 0.0091
Echinococcus multilocularis Polycystic kidney disease protein 0.0041 0.011 0.0099
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0069 0.0389 0.0389
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0175 0.1422 0.1413
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0378 1
Echinococcus multilocularis PWWP domain containing protein 2A 0.0068 0.0378 0.0367
Echinococcus multilocularis zinc finger protein 0.0039 0.0096 0.0085
Schistosoma mansoni enhancer of polycomb 0.0159 0.1264 0.1392
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0033 0.0036 0.0026
Echinococcus multilocularis protein kinase C binding protein 1 0.0033 0.0036 0.0026
Loa Loa (eye worm) hypothetical protein 0.0274 0.2378 0.4808
Schistosoma mansoni hepatoma derived growth factor 0.0068 0.0378 0.0407
Loa Loa (eye worm) doublecortin family protein 0.0041 0.011 0.0201
Echinococcus granulosus CREB binding protein 0.0033 0.0036 0.0036
Brugia malayi Peroxidasin 0.0083 0.0519 0.0544
Brugia malayi Animal haem peroxidase family protein 0.0083 0.0519 0.0544
Toxoplasma gondii bromodomain-containing protein 0.0033 0.0036 0.0114
Schistosoma mansoni enhancer of polycomb 0.0159 0.1264 0.1392
Plasmodium vivax bromodomain protein, putative 0.0033 0.0036 0.0114
Brugia malayi BRM protein 0.0033 0.0036 0.0027
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Brugia malayi acetyltransferase, GNAT family protein 0.0033 0.0036 0.0027
Echinococcus granulosus RUN 0.0041 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0041 0.011 0.0201
Echinococcus multilocularis Bromodomain containing protein 0.0033 0.0036 0.0026
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Schistosoma mansoni bromodomain containing protein 0.0039 0.0096 0.0094
Loa Loa (eye worm) hypothetical protein 0.0033 0.0036 0.0052
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.011 0.0099
Brugia malayi bromodomain containing protein 0.0033 0.0036 0.0027
Schistosoma mansoni peroxidasin 0.0083 0.0519 0.0564
Schistosoma mansoni bromodomain-containing protein 3 brd3 0.0033 0.0036 0.0028
Loa Loa (eye worm) animal heme peroxidase 0.0083 0.0519 0.1031
Echinococcus granulosus PWWP domain containing protein 2A 0.0068 0.0378 0.0378
Toxoplasma gondii histone lysine methyltransferase SET1 0.0034 0.0047 0.0163
Schistosoma mansoni bromodomain containing 0.0033 0.0036 0.0028
Onchocerca volvulus Peroxidase homolog 0.0083 0.0519 0.2145
Schistosoma mansoni phd finger protein 0.0101 0.0698 0.0763
Schistosoma mansoni SET domain protein 0.0075 0.0448 0.0485
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0172
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0033 0.0036 0.0114
Trichomonas vaginalis set domain proteins, putative 0.0241 0.2056 0.4124
Loa Loa (eye worm) hypothetical protein 0.0068 0.0378 0.0745
Loa Loa (eye worm) hypothetical protein 0.0154 0.1212 0.2439
Schistosoma mansoni hypothetical protein 0.0068 0.0378 0.0407
Schistosoma mansoni hypothetical protein 0.0033 0.0036 0.0028
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0033 0.0036 0.0114
Loa Loa (eye worm) hypothetical protein 0.0033 0.0036 0.0052
Brugia malayi Blistered cuticle protein 3 0.0083 0.0519 0.0544
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0033 0.0036 0.0114
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Schistosoma mansoni loxhd1 0.0041 0.011 0.011
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.0068 0.0378 1
Trypanosoma cruzi transcription elongation factor s-II, putative 0.0068 0.0378 1
Echinococcus multilocularis hepatoma derived growth factor protein 0.0068 0.0378 0.0367
Loa Loa (eye worm) animal heme peroxidase 0.0083 0.0519 0.1031
Trypanosoma brucei transcription elongation factor s-II, putative 0.0068 0.0378 0.6721
Schistosoma mansoni transcription initiation factor tfiid 0.0033 0.0036 0.0028
Brugia malayi ATPase, AAA family protein 0.0033 0.0036 0.0027
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Schistosoma mansoni enhancer of polycomb 0.0159 0.1264 0.1392
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Echinococcus granulosus enhancer of polycomb 0.0159 0.1264 0.1264
Plasmodium falciparum phd finger protein, putative 0.0261 0.2251 1
Echinococcus granulosus bromodomain containing protein 8 0.0033 0.0036 0.0036
Brugia malayi Bromodomain containing protein 0.0033 0.0036 0.0027
Echinococcus multilocularis PHD finger protein rhinoceros 0.0261 0.2251 0.2242
Echinococcus granulosus histone acetyltransferase KAT2B 0.0033 0.0036 0.0036
Echinococcus multilocularis peregrin 0.1058 1 1
Schistosoma mansoni polycystin 1-related 0.0041 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0041 0.011 0.011
Echinococcus multilocularis global transcription activator snf2l2 0.0033 0.0036 0.0026
Schistosoma mansoni hypothetical protein 0.0068 0.0378 0.0407
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0378 1
Toxoplasma gondii histone acetyltransferase TAF1/250 0.0033 0.0036 0.0114
Brugia malayi AF-10 protein 0.0085 0.0544 0.0572
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Echinococcus granulosus zinc finger protein 0.0039 0.0096 0.0096
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0146 0.1134 0.2281
Brugia malayi polybromodomain protein 0.0033 0.0036 0.0027
Echinococcus granulosus PHD finger protein rhinoceros 0.0261 0.2251 0.2251
Onchocerca volvulus Bromodomain adjacent to zinc finger domain protein 1A homolog 0.0033 0.0036 0.0108
Echinococcus multilocularis Bromodomain containing protein 0.0033 0.0036 0.0026
Brugia malayi Bromodomain containing protein 0.0033 0.0036 0.0027
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0033 0.0036 0.0114
Brugia malayi hypothetical protein 0.0068 0.0378 0.0393
Loa Loa (eye worm) hypothetical protein 0.0157 0.1244 0.2504
Brugia malayi PHD-finger family protein 0.0261 0.2251 0.2401
Plasmodium vivax hypothetical protein, conserved 0.0261 0.2251 1
Plasmodium vivax bromodomain protein, putative 0.0033 0.0036 0.0114
Leishmania major hypothetical protein, conserved 0.0068 0.0378 1
Schistosoma mansoni hypothetical protein 0.0033 0.0036 0.0028
Echinococcus granulosus expressed protein 0.0379 0.3404 0.3404
Echinococcus multilocularis ATPase family AAA domain containing protein 2B 0.0033 0.0036 0.0026
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0085 0.0544 0.2382
Onchocerca volvulus Peroxidase homolog 0.0083 0.0519 0.2145
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Echinococcus granulosus global transcription activator snf2l2 0.0033 0.0036 0.0036
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0086 0.0555 0.0604
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Brugia malayi Bromodomain containing protein 0.0039 0.0096 0.0091
Echinococcus granulosus Polycystic kidney disease protein 0.0041 0.011 0.011
Entamoeba histolytica hypothetical protein 0.0068 0.0378 1
Schistosoma mansoni zinc finger protein 0.0039 0.0096 0.0094
Schistosoma mansoni polybromo-1 0.0033 0.0036 0.0028
Brugia malayi Bromodomain containing protein 0.0033 0.0036 0.0027
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.0068 0.0378 1
Echinococcus multilocularis PWWP domain containing protein 2A 0.0068 0.0378 0.0367
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0033 0.0036 0.0028
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Onchocerca volvulus 0.0083 0.0519 0.2145
Schistosoma mansoni hypothetical protein 0.0033 0.0036 0.0028
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Echinococcus multilocularis bromodomain containing 2 0.0033 0.0036 0.0026
Loa Loa (eye worm) bromodomain containing protein 0.0033 0.0036 0.0052
Loa Loa (eye worm) CBP-B 0.0033 0.0036 0.0052
Echinococcus multilocularis RUN 0.0041 0.011 0.0099
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0033 0.0036 0.0028
Brugia malayi Doublecortin family protein 0.0041 0.011 0.0106
Schistosoma mansoni peroxidasin 0.0083 0.0519 0.0564
Onchocerca volvulus Chorion peroxidase homolog 0.0083 0.0519 0.2145
Echinococcus granulosus hepatoma derived growth factor protein 0.0068 0.0378 0.0378
Toxoplasma gondii bromodomain-containing protein 0.0033 0.0036 0.0114
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Onchocerca volvulus 0.0146 0.1134 0.4745
Brugia malayi Bromodomain containing protein 0.0033 0.0036 0.0027
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0242 0.2072 0.2072
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.011 0.011
Brugia malayi hypothetical protein 0.0041 0.011 0.0106
Loa Loa (eye worm) animal heme peroxidase 0.0083 0.0519 0.1031
Brugia malayi Animal haem peroxidase family protein 0.0083 0.0519 0.0544
Echinococcus granulosus protein kinase C binding protein 1 0.0033 0.0036 0.0036
Toxoplasma gondii hypothetical protein 0.0033 0.0036 0.0114
Brugia malayi TAZ zinc finger family protein 0.0033 0.0036 0.0027
Loa Loa (eye worm) hypothetical protein 0.0146 0.1134 0.2281
Onchocerca volvulus 0.0033 0.0036 0.0108
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0036 0.0114
Schistosoma mansoni hypothetical protein 0.0261 0.2251 0.2487
Loa Loa (eye worm) hypothetical protein 0.0537 0.4934 1
Toxoplasma gondii bromodomain-containing protein 0.0033 0.0036 0.0114
Loa Loa (eye worm) animal heme peroxidase 0.0083 0.0519 0.1031
Loa Loa (eye worm) hypothetical protein 0.0146 0.1134 0.2281
Loa Loa (eye worm) acetyltransferase 0.0033 0.0036 0.0052
Echinococcus granulosus E3 ubiquitin protein ligase TRIM33 0.0241 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0033 0.0036 0.0052
Onchocerca volvulus Peroxidasin homolog 0.0083 0.0519 0.2145
Loa Loa (eye worm) hypothetical protein 0.0041 0.011 0.0201
Schistosoma mansoni lipoxygenase 0.0169 0.1363 0.1502
Brugia malayi hypothetical protein 0.0083 0.0519 0.0544
Echinococcus multilocularis peroxidasin 0.0083 0.0519 0.0508
Onchocerca volvulus 0.0041 0.011 0.0418
Onchocerca volvulus Peroxidasin homolog 0.0083 0.0519 0.2145
Loa Loa (eye worm) jmjC domain-containing protein 0.0175 0.1422 0.2867
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Echinococcus granulosus polybromo 1 0.0033 0.0036 0.0036
Onchocerca volvulus Brd8 homolog 0.0033 0.0036 0.0108
Onchocerca volvulus 0.0041 0.011 0.0418
Loa Loa (eye worm) hypothetical protein 0.0083 0.0519 0.1031
Brugia malayi hypothetical protein 0.0068 0.0378 0.0393
Plasmodium vivax multidomain scavenger receptor, putative 0.0041 0.011 0.0442
Loa Loa (eye worm) hypothetical protein 0.0033 0.0036 0.0052
Toxoplasma gondii PHD-finger domain-containing protein 0.0261 0.2251 1
Schistosoma mansoni hepatoma derived growth factor 0.0068 0.0378 0.0407
Schistosoma mansoni helicase 0.0033 0.0036 0.0028
Brugia malayi Bromodomain containing protein 0.0033 0.0036 0.0027
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.1772 0.3577
Echinococcus granulosus Bromodomain containing protein 0.0033 0.0036 0.0036
Onchocerca volvulus 0.0083 0.0519 0.2145
Loa Loa (eye worm) hypothetical protein 0.0033 0.0036 0.0052
Echinococcus multilocularis E3 ubiquitin protein ligase TRIM33 0.0241 0.206 0.2051
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0033 0.0036 0.0114
Brugia malayi Animal haem peroxidase family protein 0.0083 0.0519 0.0544
Echinococcus multilocularis polybromo 1 0.0033 0.0036 0.0026
Brugia malayi polybromodomain protein 0.0033 0.0036 0.0027
Schistosoma mansoni rab6-interacting 0.0041 0.011 0.011
Loa Loa (eye worm) PHD-finger family protein 0.0261 0.2251 0.4549
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0172
Echinococcus multilocularis enhancer of polycomb 0.0159 0.1264 0.1255
Toxoplasma gondii PHD-finger domain-containing protein 0.0085 0.0544 0.2382
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0085 0.0544 0.2294
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0175 0.1422 0.1422
Brugia malayi Bromodomain containing protein 0.0033 0.0036 0.0027
Plasmodium falciparum LCCL domain-containing protein 0.0041 0.011 0.0332
Giardia lamblia PHD finger protein 15 0.0261 0.2251 1
Schistosoma mansoni enhancer of polycomb 0.0159 0.1264 0.1392
Loa Loa (eye worm) hypothetical protein 0.0091 0.0604 0.1204
Loa Loa (eye worm) hypothetical protein 0.0033 0.0036 0.0052
Brugia malayi hypothetical protein 0.0041 0.011 0.0106
Schistosoma mansoni microtubule-associated protein tau 0.0701 0.6534 0.7242
Loa Loa (eye worm) BRM protein 0.0033 0.0036 0.0052
Schistosoma mansoni hypothetical protein 0.0085 0.0544 0.0592
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0085 0.0544 1
Brugia malayi PHD-finger family protein 0.0091 0.0604 0.0636
Onchocerca volvulus 0.0068 0.0378 0.155
Echinococcus granulosus PH interacting protein 0.0033 0.0036 0.0036
Entamoeba histolytica ankyrin repeat protein, putative 0.0033 0.0036 0.0000003618
Echinococcus granulosus Bromodomain containing protein 0.0033 0.0036 0.0036
Toxoplasma gondii bromodomain-containing protein 0.0033 0.0036 0.0114
Echinococcus multilocularis CREB binding protein 0.0033 0.0036 0.0026
Loa Loa (eye worm) PWWP domain-containing protein 0.0068 0.0378 0.0745
Echinococcus granulosus PWWP domain containing protein 2A 0.0068 0.0378 0.0378
Plasmodium vivax SET domain containing protein 0.0034 0.0047 0.0163
Brugia malayi Bromodomain containing protein 0.0033 0.0036 0.0027
Plasmodium falciparum bromodomain protein 1 0.0033 0.0036 0.000000055788
Brugia malayi Animal haem peroxidase family protein 0.0083 0.0519 0.0544
Schistosoma mansoni rab6-interacting 0.0041 0.011 0.011
Loa Loa (eye worm) blistered cuticle protein 3 0.0083 0.0519 0.1031
Schistosoma mansoni bromodomain containing protein 0.0039 0.0096 0.0094
Loa Loa (eye worm) hypothetical protein 0.0033 0.0036 0.0052
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0011 0.0011
Schistosoma mansoni lipoxygenase 0.0242 0.2072 0.2289
Echinococcus granulosus CREB binding protein 0.0033 0.0036 0.0036
Echinococcus granulosus microtubule associated protein 2 0.0701 0.6534 0.6534
Brugia malayi jmjC domain containing protein 0.0175 0.1422 0.1513
Echinococcus granulosus enhancer of polycomb 0.0159 0.1264 0.1264
Echinococcus granulosus peroxidasin 0.0083 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0261 0.2251 0.4549
Brugia malayi Pre-SET motif family protein 0.0211 0.1772 0.1888
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0957 0.9018 1
Echinococcus multilocularis enhancer of polycomb 0.0159 0.1264 0.1255
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.011 0.011
Onchocerca volvulus 0.0241 0.2056 0.864
Schistosoma mansoni CREB-binding protein 2 0.0033 0.0036 0.0028
Brugia malayi Bromodomain containing protein 0.099 0.9338 1
Echinococcus granulosus bromodomain containing 2 0.0033 0.0036 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0537 0.4934 1
Echinococcus multilocularis microtubule associated protein 2 0.0701 0.6534 0.653
Plasmodium vivax hypothetical protein, conserved 0.0085 0.0544 0.2382
Onchocerca volvulus Alhambra homolog 0.0261 0.2251 0.9462
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0096 0.0085
Brugia malayi PWWP domain containing protein 0.0068 0.0378 0.0393
Schistosoma mansoni hypothetical protein 0.0033 0.0036 0.0028
Echinococcus multilocularis expressed protein 0.0379 0.3404 0.3396
Onchocerca volvulus Dual oxidase homolog 0.0083 0.0519 0.2145
Echinococcus granulosus transcription initiation factor TFIID subunit 1 0.0033 0.0036 0.0036

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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