Detailed information for compound 1448582

Basic information

Technical information
  • TDR Targets ID: 1448582
  • Name: (4-methoxy-3,5-dimethylphenyl)-[1-(thiadiazol e-4-carbonyl)piperidin-3-yl]methanone
  • MW: 359.443 | Formula: C18H21N3O3S
  • H donors: 0 H acceptors: 4 LogP: 2.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(C)cc(cc1C)C(=O)C1CCCN(C1)C(=O)c1csnn1
  • InChi: 1S/C18H21N3O3S/c1-11-7-14(8-12(2)17(11)24-3)16(22)13-5-4-6-21(9-13)18(23)15-10-25-20-19-15/h7-8,10,13H,4-6,9H2,1-3H3
  • InChiKey: UUROZMUJSZAXSF-UHFFFAOYSA-N  

Network

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Synonyms

  • (4-methoxy-3,5-dimethyl-phenyl)-[1-(thiadiazole-4-carbonyl)-3-piperidyl]methanone
  • (4-methoxy-3,5-dimethylphenyl)-[1-[oxo-(4-thiadiazolyl)methyl]-3-piperidinyl]methanone
  • (4-methoxy-3,5-dimethyl-phenyl)-[1-(1,2,3-thiadiazol-4-ylcarbonyl)piperidin-3-yl]methanone
  • (4-methoxy-3,5-dimethylphenyl)[1-(1,2,3-thiadiazol-4-ylcarbonyl)piperidin-3-yl]methanone
  • MLS000734917
  • SMR000315765

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens snurportin 1 No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major hexokinase, putative 0.0456 1 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0186 0.0186
Onchocerca volvulus Hexokinase homolog 0.0286 0.6126 0.5987
Loa Loa (eye worm) hypothetical protein 0.0032 0.0331 0.0331
Plasmodium vivax importin-beta 2, putative 0.0035 0.0396 0.0213
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0396 0.0213
Echinococcus multilocularis hexokinase 0.0456 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0344 0.0344
Echinococcus granulosus hexokinase 0.0456 1 1
Schistosoma mansoni importin beta-1 0.0035 0.0396 0.0361
Entamoeba histolytica hypothetical protein 0.0028 0.0246 0.0061
Schistosoma mansoni lamin 0.0033 0.0344 0.0309
Leishmania major importin beta-1 subunit, putative 0.0028 0.0246 0.0061
Onchocerca volvulus 0.0456 1 1
Echinococcus multilocularis musashi 0.0033 0.0344 0.0309
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0246 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.054 0.054
Brugia malayi Hexokinase family protein 0.0141 0.282 0.282
Echinococcus granulosus intermediate filament protein 0.0033 0.0344 0.0309
Schistosoma mansoni hexokinase 0.0456 1 1
Echinococcus multilocularis hexokinase type 2 0.0456 1 1
Brugia malayi Hexokinase family protein 0.0286 0.6126 0.6126
Loa Loa (eye worm) hypothetical protein 0.0311 0.6694 0.6694
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0396 0.0361
Schistosoma mansoni intermediate filament proteins 0.0033 0.0344 0.0309
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0344 0.0344
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.054 0.054
Onchocerca volvulus 0.0456 1 1
Plasmodium vivax hexokinase, putative 0.0456 1 1
Echinococcus granulosus hexokinase type 2 0.0456 1 1
Leishmania major hexokinase, putative 0.0456 1 1
Loa Loa (eye worm) hexokinase 0.0456 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0974 0.0974
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0344 0.0344
Toxoplasma gondii hexokinase 0.0456 1 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.2908 0.2908
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0036 0.0036
Schistosoma mansoni hypothetical protein 0.0041 0.054 0.0505
Echinococcus multilocularis hexokinase 0.0456 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0974 0.0974
Schistosoma mansoni ran 0.0026 0.0186 0.015
Echinococcus multilocularis snurportin 1 0.0372 0.807 0.8063
Trypanosoma brucei hexokinase 0.0456 1 1
Echinococcus multilocularis lamin 0.0033 0.0344 0.0309
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0186 0.5
Trypanosoma brucei hexokinase 0.0456 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0036 0.0036
Brugia malayi Importin beta-1 subunit 0.0035 0.0396 0.0396
Onchocerca volvulus 0.0456 1 1
Plasmodium falciparum importin beta, putative 0.0035 0.0396 0.0213
Brugia malayi Hexokinase family protein 0.0456 1 1
Echinococcus granulosus lamin dm0 0.0033 0.0344 0.0309
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0036 0.0036
Echinococcus granulosus lamin 0.0033 0.0344 0.0309
Loa Loa (eye worm) hypothetical protein 0.0145 0.2908 0.2908
Loa Loa (eye worm) hexokinase type II 0.0456 1 1
Schistosoma mansoni hypothetical protein 0.0372 0.807 0.8063
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0246 1
Echinococcus granulosus hexokinase 0.0456 1 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0396 0.0361
Echinococcus granulosus snurportin 1 0.0372 0.807 0.8063
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0186 0.015
Plasmodium falciparum hexokinase 0.0456 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0246 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0036 0.0036
Trypanosoma cruzi hexokinase, putative 0.0456 1 1
Echinococcus granulosus hexokinase 0.0456 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0396 0.0213
Loa Loa (eye worm) hexokinase 0.0141 0.282 0.282
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0246 0.0061
Echinococcus multilocularis lamin dm0 0.0033 0.0344 0.0309
Schistosoma mansoni lamin 0.0033 0.0344 0.0309
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.807 0.807
Brugia malayi hexokinase type II 0.0145 0.2908 0.2908
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0396 0.0213
Echinococcus multilocularis hexokinase 0.0456 1 1
Treponema pallidum hexokinase (hxk) 0.0456 1 0.5
Loa Loa (eye worm) hexokinase 0.0456 1 1
Entamoeba histolytica hexokinase 1 0.0456 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0344 0.0344
Loa Loa (eye worm) hexokinase 0.0286 0.6126 0.6126
Loa Loa (eye worm) hypothetical protein 0.006 0.0974 0.0974
Schistosoma mansoni ran 0.0026 0.0186 0.015
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0186 0.0186
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0186 0.015
Loa Loa (eye worm) hypothetical protein 0.0035 0.0396 0.0396
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0974 0.0974
Brugia malayi RNA, U transporter 1 0.0099 0.1858 0.1858
Entamoeba histolytica hexokinase 2 0.0456 1 1
Onchocerca volvulus 0.0286 0.6126 0.5987
Trypanosoma brucei hexokinase, putative 0.0456 1 1
Trypanosoma cruzi hexokinase, putative 0.0456 1 1
Brugia malayi intermediate filament protein 0.0033 0.0344 0.0344

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0891 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.4611 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 1.0418 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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