Detailed information for compound 1836795

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.403 | Formula: C25H21BrOS
  • H donors: 0 H acceptors: 0 LogP: 6.98 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)C1C2=C(Oc3c1c1ccccc1cc3)CC(CC2=S)(C)C
  • InChi: 1S/C25H21BrOS/c1-25(2)13-20-24(21(28)14-25)22(16-7-5-8-17(26)12-16)23-18-9-4-3-6-15(18)10-11-19(23)27-20/h3-12,22H,13-14H2,1-2H3
  • InChiKey: MWAYLTQKEFTQTK-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
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.016 0.063 0.1008
Loa Loa (eye worm) hypothetical protein 0.2072 0.9435 1
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0283 0.1195 0.4286
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0283 0.1195 0.4286
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0123 0.0457 0.0484
Trichomonas vaginalis pten, drome, putative 0.016 0.063 0.5
Onchocerca volvulus 0.016 0.063 0.0197
Onchocerca volvulus 4.1 G protein, putative homolog 0.016 0.063 0.0197
Brugia malayi Lethal protein 805 0.0123 0.0457 0.0457
Entamoeba histolytica protein tyrosine phosphatase, putative 0.016 0.063 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Echinococcus granulosus protein tyrosine phosphatase n9 0.016 0.063 0.1008
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0283 0.1195 0.4286
Onchocerca volvulus 0.016 0.063 0.0197
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0283 0.1195 0.4286
Onchocerca volvulus 0.016 0.063 0.0197
Brugia malayi hypothetical protein 0.016 0.063 0.063
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.016 0.063 0.1008
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Onchocerca volvulus 0.016 0.063 0.0197
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0497 0.218 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.016 0.063 0.1008
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.016 0.063 0.1008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.016 0.063 0.1008
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.016 0.063 0.1008
Onchocerca volvulus 0.016 0.063 0.0197
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0123 0.0457 0.0484
Brugia malayi SPRY domain containing protein 0.0123 0.0457 0.0457
Onchocerca volvulus 0.016 0.063 0.0197
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Leishmania major hypothetical protein, conserved 0.0123 0.0457 0.7244
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0123 0.0457 0.0484
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Onchocerca volvulus 0.016 0.063 0.0197
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Brugia malayi hypothetical protein 0.0123 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Brugia malayi Fibronectin type III domain containing protein 0.0123 0.0457 0.0457
Loa Loa (eye worm) CAMK protein kinase 0.0123 0.0457 0.0484
Brugia malayi Protein-tyrosine phosphatase 0.016 0.063 0.063
Onchocerca volvulus 0.016 0.063 0.0197
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.016 0.063 0.1008
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.016 0.063 0.1008
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Onchocerca volvulus 0.016 0.063 0.0197
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.016 0.063 0.1008
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Loa Loa (eye worm) hypothetical protein 0.1911 0.8696 0.9217
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Echinococcus multilocularis 0.016 0.063 0.1008
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0283 0.1195 0.4286
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.016 0.063 0.1008
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Loa Loa (eye worm) hypothetical protein 0.1911 0.8696 0.9217
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0123 0.0457 0.0484
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.016 0.063 0.1008
Onchocerca volvulus 0.016 0.063 0.0197
Brugia malayi Fibronectin type III domain containing protein 0.0123 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.016 0.063 0.1008
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0497 0.218 0.2311
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Brugia malayi hypothetical protein 0.016 0.063 0.063
Brugia malayi Dual specificity protein phosphatase CDC14B 0.016 0.063 0.063
Loa Loa (eye worm) UNCoordinated family member 0.0123 0.0457 0.0484
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0283 0.1195 0.4286
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.016 0.063 0.1008
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Schistosoma mansoni protein tyrosine phosphatase 0.016 0.063 0.1008
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0123 0.0457 0.0484
Loa Loa (eye worm) hypothetical protein 0.1911 0.8696 0.9217
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0497 0.218 1
Onchocerca volvulus 0.2034 0.9261 1
Brugia malayi hypothetical protein 0.016 0.063 0.063
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.016 0.063 1
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0123 0.0457 0.0484
Brugia malayi protein unc-22 0.0123 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0123 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.016 0.063 0.1008
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Schistosoma mansoni protein-tyrosine phosphatase n9 0.016 0.063 0.1008
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0283 0.1195 0.4286
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.0457 0.7244
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.016 0.063 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.016 0.063 0.1008
Brugia malayi hypothetical protein 0.0123 0.0457 0.0457
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0123 0.0457 0.0484
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0123 0.0457 0.0484
Brugia malayi myotactin form A 0.0123 0.0457 0.0457
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0497 0.218 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0283 0.1195 0.4286
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.016 0.063 0.1008
Leishmania major tyrosine specific protein phosphatase, putative 0.016 0.063 1
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0283 0.1195 0.4286
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Onchocerca volvulus 0.016 0.063 0.0197
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Brugia malayi Protein-tyrosine phosphatase 1 0.016 0.063 0.063
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.016 0.063 0.1008
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.016 0.063 0.1008
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0283 0.1195 0.4286
Onchocerca volvulus 0.016 0.063 0.0197
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Onchocerca volvulus 0.016 0.063 0.0197
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Entamoeba histolytica protein tyrosine phosphatase, putative 0.016 0.063 0.5
Loa Loa (eye worm) lethal protein 805 0.0123 0.0457 0.0484
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.016 0.063 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0283 0.1195 0.4286
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.016 0.063 0.1008
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.016 0.063 0.1008
Schistosoma mansoni protein tyrosine phosphatase 0.0283 0.1195 0.4286
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.016 0.063 0.1008
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0123 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Giardia lamblia Protein tyrosine phosphatase 0.016 0.063 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.016 0.063 0.1008
Onchocerca volvulus 0.016 0.063 0.0197
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.016 0.063 0.1008
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.016 0.063 0.1008
Brugia malayi Fibronectin type III domain containing protein 0.0123 0.0457 0.0457
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0283 0.1195 0.1267
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.016 0.063 0.1008
Onchocerca volvulus 0.016 0.063 0.0197
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0123 0.0457 0.7244
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.016 0.063 0.0668
Brugia malayi Fibronectin type III domain containing protein 0.0123 0.0457 0.0457
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.016 0.063 0.1008
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0283 0.1195 0.4286
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0283 0.1195 0.4286
Onchocerca volvulus 0.016 0.063 0.0197
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Schistosoma mansoni pcd6 interacting protein-related 0.016 0.063 0.1008
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0123 0.0457 0.7244
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0123 0.0457 0.7244
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.016 0.063 0.1008
Trypanosoma brucei protein tyrosine phosphatase 1 0.016 0.063 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Brugia malayi Fibronectin type III domain containing protein 0.0123 0.0457 0.0457
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.016 0.063 0.1008
Onchocerca volvulus 0.016 0.063 0.0197
Onchocerca volvulus 0.016 0.063 0.0197
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0058 0.0061
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.016 0.063 0.063
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.016 0.063 0.1008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.016 0.063 1
Leishmania major protein-tyrosine phosphatase 1-like protein 0.016 0.063 1
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Loa Loa (eye worm) protein tyrosine phosphatase 0.016 0.063 0.0668
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0283 0.1195 0.4286
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.016 0.063 0.1008
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Brugia malayi myotactin form B 0.0123 0.0457 0.0457
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.016 0.063 0.1008
Brugia malayi hypothetical protein 0.016 0.063 0.063
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.016 0.063 0.0668
Onchocerca volvulus 0.016 0.063 0.0197
Brugia malayi Cytochrome P450 family protein 0.0036 0.0058 0.0058
Schistosoma mansoni rgs-gaip interacting protein gipc 0.016 0.063 0.1008
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.016 0.063 0.1008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Schistosoma mansoni protein tyrosine phosphatase 0.016 0.063 0.1008
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0123 0.0457 0.0484
Loa Loa (eye worm) projectin 0.0123 0.0457 0.0484
Onchocerca volvulus 0.016 0.063 0.0197
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Loa Loa (eye worm) hypothetical protein 0.0123 0.0457 0.0484
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Onchocerca volvulus 0.016 0.063 0.0197
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.016 0.063 0.0668
Echinococcus multilocularis hypothetical protein 0.016 0.063 0.1008
Brugia malayi Fibronectin type III domain containing protein 0.0123 0.0457 0.0457
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0497 0.218 0.218
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0283 0.1195 0.4286
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Brugia malayi Immunoglobulin I-set domain containing protein 0.0123 0.0457 0.0457
Brugia malayi Lethal protein 805 0.0123 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0123 0.0457 0.0484
Brugia malayi Protein-tyrosine phosphatase containing protein 0.016 0.063 0.063
Loa Loa (eye worm) myotactin form A 0.0123 0.0457 0.0484
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.016 0.063 0.1008
Loa Loa (eye worm) protein-tyrosine phosphatase 0.016 0.063 0.0668
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.016 0.063 0.1008
Onchocerca volvulus 0.016 0.063 0.0197
Echinococcus multilocularis protein tyrosine phosphatase n9 0.016 0.063 0.1008
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0668
Onchocerca volvulus 0.016 0.063 0.0197
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0123 0.0457 0.0457
Brugia malayi hypothetical protein 0.016 0.063 0.063

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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