Detailed information for compound 1245117

Basic information

Technical information
  • TDR Targets ID: 1245117
  • Name: 2-[4-[2-(carboxymethyl)-1,3-dioxoisoindol-5-y l]oxy-1,3-dioxoisoindol-2-yl]acetic acid
  • MW: 424.317 | Formula: C20H12N2O9
  • H donors: 2 H acceptors: 8 LogP: 0.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CN1C(=O)c2c(C1=O)ccc(c2)Oc1cccc2c1C(=O)N(C2=O)CC(=O)O
  • InChi: 1S/C20H12N2O9/c23-14(24)7-21-17(27)10-5-4-9(6-12(10)19(21)29)31-13-3-1-2-11-16(13)20(30)22(18(11)28)8-15(25)26/h1-6H,7-8H2,(H,23,24)(H,25,26)
  • InChiKey: YLPWHIPCVVOSRI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[2-(carboxymethyl)-1,3-dioxo-isoindolin-5-yl]oxy-1,3-dioxo-isoindolin-2-yl]acetic acid
  • 2-[4-[[2-(carboxymethyl)-1,3-dioxo-5-isoindolinyl]oxy]-1,3-dioxo-2-isoindolinyl]acetic acid
  • 2-[4-[2-(carboxymethyl)-1,3-diketo-isoindolin-5-yl]oxy-1,3-diketo-isoindolin-2-yl]acetic acid
  • 2-[4-[2-(carboxymethyl)-1,3-dioxo-isoindol-5-yl]oxy-1,3-dioxo-isoindol-2-yl]ethanoic acid
  • EU-0067796
  • Oprea1_158561
  • MLS000521368
  • SMR000131776

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax importin-beta 2, putative 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
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative 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
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum importin beta-1 subunit, putative 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
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 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
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative 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
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 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 donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 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
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, 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
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis importin beta-1 subunit, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
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 penicillin-binding protein, putative 0.0043 0.0444 0.5783
Onchocerca volvulus 0.0043 0.0444 0.5
Brugia malayi Polyprenyl synthetase family protein 0.0055 0.0767 0.1053
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0055 0.0767 1
Onchocerca volvulus 0.0043 0.0444 0.5
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0055 0.0767 1
Brugia malayi beta-lactamase family protein 0.0043 0.0444 0.0461
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0055 0.0767 0.1356
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0055 0.0767 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0444 0.0257
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0444 0.5783
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0223 0.5658 0.5573
Loa Loa (eye worm) hypothetical protein 0.0043 0.0444 0.0257
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0444 0.5783
Loa Loa (eye worm) hypothetical protein 0.018 0.443 0.4321
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0055 0.0767 0.0587
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0444 0.0257
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0444 0.0257
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0055 0.0767 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0444 0.0784
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0055 0.0767 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0055 0.0767 1
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0055 0.0767 0.1356
Trichomonas vaginalis esterase, putative 0.0043 0.0444 0.5783
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0055 0.0767 1
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0055 0.0767 1
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0223 0.5658 0.5573
Toxoplasma gondii ABC1 family protein 0.0043 0.0444 0.4378
Leishmania major polyprenyl synthase, putative 0.0223 0.5658 1
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0055 0.0767 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0444 0.4378
Leishmania major farnesyl pyrophosphate synthase 0.0055 0.0767 0.1356
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0055 0.0767 1
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0055 0.0767 0.0587
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0055 0.0767 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0055 0.0767 0.0587
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0444 0.0784
Giardia lamblia Farnesyl diphosphate synthase 0.0055 0.0767 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0055 0.0767 0.1356
Schistosoma mansoni hypothetical protein 0.0372 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0055 0.0767 1
Treponema pallidum octaprenyl-diphosphate synthase 0.0223 0.5658 0.5
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0055 0.0767 0.0587
Loa Loa (eye worm) hypothetical protein 0.0043 0.0444 0.0257
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0055 0.0767 0.0474
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0055 0.0767 0.0474
Echinococcus granulosus muscleblind protein 0.018 0.443 0.4321
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0055 0.0767 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0444 0.5783
Echinococcus multilocularis muscleblind protein 1 0.018 0.443 0.4321
Loa Loa (eye worm) hypothetical protein 0.0043 0.0444 0.0257
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0055 0.0767 0.0474
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0223 0.5658 0.5573
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0055 0.0767 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0444 0.5783
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0444 0.0257
Loa Loa (eye worm) hypothetical protein 0.0043 0.0444 0.0257
Brugia malayi RNA, U transporter 1 0.0099 0.2061 0.3419
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0055 0.0767 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0055 0.0767 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0444 0.4378
Leishmania major solanesyl-diphosphate synthase, putative 0.0055 0.0767 0.1356
Loa Loa (eye worm) polyprenyl synthetase 0.0055 0.0767 0.0587
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0444 0.0461
Loa Loa (eye worm) beta-lactamase 0.0043 0.0444 0.0257
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0055 0.0767 0.1356
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0055 0.0767 0.0474
Loa Loa (eye worm) hypothetical protein 0.018 0.443 0.4321
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0055 0.0767 0.0587
Trypanosoma cruzi polyprenyl synthase, putative 0.0223 0.5658 1
Brugia malayi Muscleblind-like protein 0.018 0.443 0.7753
Schistosoma mansoni trans-prenyltransferase 0.0055 0.0767 0.0587
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0055 0.0767 1
Echinococcus multilocularis muscleblind protein 0.018 0.443 0.4321
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0223 0.5658 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0444 0.0257
Trypanosoma cruzi polyprenyl synthase, putative 0.0223 0.5658 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0055 0.0767 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0055 0.0767 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7265 1
Echinococcus multilocularis snurportin 1 0.0372 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0055 0.0767 0.0587
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0055 0.0767 0.0587
Brugia malayi beta-lactamase 0.0043 0.0444 0.0461
Onchocerca volvulus 0.0043 0.0444 0.5
Schistosoma mansoni glutathione synthetase 0.0055 0.0767 0.0587
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0055 0.0767 0.1356
Leishmania major hypothetical protein, conserved 0.0043 0.0444 0.0784
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0055 0.0767 0.0587
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0444 0.0257
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0055 0.0767 1
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0055 0.0767 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0444 0.0257
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0223 0.5658 0.5573
Brugia malayi Polyprenyl synthetase family protein 0.0055 0.0767 0.1053
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0055 0.0767 1
Brugia malayi beta-lactamase family protein 0.0043 0.0444 0.0461

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 6.5131 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 (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

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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