Detailed information for compound 757049

Basic information

Technical information
  • TDR Targets ID: 757049
  • Name: methyl 1-(3,4-dimethylphenyl)-5-oxopyrrolidin e-3-carboxylate
  • MW: 247.29 | Formula: C14H17NO3
  • H donors: 0 H acceptors: 2 LogP: 1.58 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1CC(=O)N(C1)c1ccc(c(c1)C)C
  • InChi: 1S/C14H17NO3/c1-9-4-5-12(6-10(9)2)15-8-11(7-13(15)16)14(17)18-3/h4-6,11H,7-8H2,1-3H3
  • InChiKey: PYMAVONUJAAVEB-UHFFFAOYSA-N  

Network

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Synonyms

  • methyl 1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate
  • 1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid methyl ester
  • 1-(3,4-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid methyl ester
  • ST065981
  • Oprea1_759242
  • 1-(3,4-Dimethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
  • BAS 06318660

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
Brugia malayi Pre-SET motif family protein 0.0429 0.3021 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0268 0.0725
Leishmania major polypeptide deformylase-like protein, putative 0.018 0.1195 1
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.0268 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0222 0.0734
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0268 0.2118
Brugia malayi hypothetical protein 0.0169 0.112 0.3708
Echinococcus granulosus dna polymerase eta 0.002 0.0027 0.0027
Onchocerca volvulus 0.0062 0.0331 0.0536
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0025 0.0065 0.0065
Trichomonas vaginalis phosphofructokinase, putative 0.0054 0.0278 0.0756
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0027 0.0027
Echinococcus granulosus 6 phosphofructokinase 0.0054 0.0278 0.0278
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0471 0.3325 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0268 0.0268
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0054 0.0178
Trypanosoma brucei protein kinase, putative 0.0053 0.0268 0.2118
Entamoeba histolytica hypothetical protein 0.0035 0.0135 0.4484
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0027 0.0075
Loa Loa (eye worm) hypothetical protein 0.002 0.0027 0.009
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0054 0.0178
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0027 0.0075
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0054 0.03
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0135 0.0135
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0331 0.0946
Mycobacterium ulcerans 6-phosphofructokinase 0.0054 0.0278 0.0786
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0222 0.0734
Plasmodium falciparum peptide deformylase 0.0471 0.3325 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0268 0.2118
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0222 0.0222
Leishmania major hypothetical protein, conserved 0.0026 0.0072 0.0456
Schistosoma mansoni aryl hydrocarbon receptor 0.005 0.025 0.025
Brugia malayi Cytochrome P450 family protein 0.0024 0.0054 0.0178
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0027 0.0027
Entamoeba histolytica phosphofructokinase, putative 0.0054 0.0278 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0027 0.0026
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0331 0.0331
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0065 0.0065
Loa Loa (eye worm) 6-phosphofructokinase 0.0054 0.0278 0.0922
Schistosoma mansoni hypothetical protein 0.0035 0.0135 0.0135
Trypanosoma brucei Peptide deformylase 2 0.018 0.1195 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0072 0.0162
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0222 0.0222
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0268 0.2118
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0135 0.0135
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.0958 0.3171
Brugia malayi PAS domain containing protein 0.005 0.025 0.0828
Entamoeba histolytica phosphofructokinase, putative 0.0054 0.0278 1
Trichomonas vaginalis chaperonin, putative 0.0025 0.0065 0.0134
Schistosoma mansoni hypothetical protein 0.0101 0.0617 0.0617
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0268 0.0886
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0018 0.0061
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0027 0.0075
Treponema pallidum polypeptide deformylase (def) 0.0471 0.3325 1
Schistosoma mansoni hypothetical protein 0.0047 0.0222 0.0222
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0054 0.03
Giardia lamblia DINP protein human, muc B family 0.002 0.0027 0.0353
Leishmania major cytochrome p450-like protein 0.0024 0.0054 0.03
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0342 0.0342
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0027 0.0027
Entamoeba histolytica hypothetical protein 0.0035 0.0135 0.4484
Echinococcus multilocularis tumor protein p63 0.0326 0.2269 0.2269
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0268 0.0268
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0027 0.0075
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0027 0.0027
Brugia malayi MAP kinase sur-1 0.0053 0.0268 0.0886
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0027 0.0075
Toxoplasma gondii hypothetical protein 0.0471 0.3325 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0054 0.0278 0.0786
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0331 0.0331
Echinococcus multilocularis dna polymerase eta 0.002 0.0027 0.0027
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0342 0.0978
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0027 0.0075
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0072 0.0456
Loa Loa (eye worm) hypothetical protein 0.0169 0.112 0.3708
Trichomonas vaginalis phosphofructokinase, putative 0.0054 0.0278 0.0756
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0027 0.009
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0027 0.0075
Echinococcus multilocularis transfer RNA-Lys 0.0037 0.0154 0.0154
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0268 0.2118
Entamoeba histolytica hypothetical protein 0.0035 0.0135 0.4484
Echinococcus multilocularis 6 phosphofructokinase 0.0054 0.0278 0.0278
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0101 0.0617 0.2043
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0268 0.2118
Trichomonas vaginalis phosphofructokinase, putative 0.0054 0.0278 0.0756
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0268 0.0725
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0065 0.0065
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0072 0.0162
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0025 0.0065 0.0065
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0065 0.0214
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.0958 0.3171
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0268 0.0268
Leishmania major DNA polymerase kappa, putative 0.002 0.0027 0.0075
Schistosoma mansoni 6-phosphofructokinase 0.0054 0.0278 0.0278
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0268 0.0754
Brugia malayi hypothetical protein 0.0035 0.0135 0.0447
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0054 0.03
Loa Loa (eye worm) 6-phosphofructokinase 0.0054 0.0278 0.0922
Brugia malayi bHLH-PAS transcription factor 0.0037 0.0154 0.051
Schistosoma mansoni hypothetical protein 0.0047 0.0222 0.0222
Giardia lamblia TCP-1 chaperonin subunit beta 0.0025 0.0065 0.1849
Schistosoma mansoni 6-phosphofructokinase 0.0054 0.0278 0.0278
Brugia malayi Pre-SET motif family protein 0.0062 0.0331 0.1096
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0135 0.0135
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0027 0.009
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0268 0.2118
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0027 0.0075
Trypanosoma cruzi Peptide deformylase 2, putative 0.018 0.1195 1
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0065 0.0214
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0342 0.2749
Schistosoma mansoni single-minded 0.005 0.025 0.025
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0429 0.3021 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0222 0.0734
Schistosoma mansoni DNA polymerase eta 0.002 0.0027 0.0027
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0027 0.0075
Schistosoma mansoni hypothetical protein 0.0047 0.0222 0.0222
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0027 0.0075
Loa Loa (eye worm) phosphofructokinase 0.0054 0.0278 0.0922
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0054 0.0278 0.0786
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0018 0.0018
Brugia malayi hypothetical protein 0.0017 0.0004 0.0014
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0222 0.0734
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0072 0.0456
Brugia malayi hypoxia-induced factor 1 0.0156 0.1024 0.339
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0268 0.2118
Echinococcus multilocularis GPCR, family 2 0.0047 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.0048 0.023 0.0762
Trypanosoma brucei Polypeptide deformylase 1 0.018 0.1195 1
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0025 0.0065 0.0392
Brugia malayi phosphofructokinase 0.0054 0.0278 0.0922
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0027 0.0338
Onchocerca volvulus 0.0048 0.023 0.0231
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0027 0.0075
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0268 0.0725
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0054 0.0278 0.2209
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0027 0.0075
Brugia malayi Cytochrome P450 family protein 0.0024 0.0054 0.0178
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0342 0.0978
Leishmania major ATP-dependent phosphofructokinase 0.0054 0.0278 0.2209
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0342 0.0978
Brugia malayi hypothetical protein 0.0228 0.1552 0.5138
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0342 0.0342
Plasmodium falciparum T-complex protein 1 subunit beta 0.0025 0.0065 0.0139
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0072 0.0456
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0027 0.0075
Loa Loa (eye worm) transcription factor SMAD2 0.0239 0.1631 0.54
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0027 0.0075
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0315 0.0315
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0027 0.009
Loa Loa (eye worm) hypothetical protein 0.0147 0.0958 0.3171
Brugia malayi 6-phosphofructokinase 0.0054 0.0278 0.0922
Loa Loa (eye worm) hypothetical protein 0.0228 0.1552 0.5138
Entamoeba histolytica hypothetical protein 0.0035 0.0135 0.4484
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.1552 0.1552
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.0617 0.2043
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0027 0.0075
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0331 0.0331
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0072 0.0162
Echinococcus multilocularis microtubule associated protein 2 0.1383 1 1
Brugia malayi hypothetical protein 0.0026 0.0072 0.0239
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0054 0.0178
Mycobacterium ulcerans putative regulatory protein 0.0037 0.0154 0.041
Schistosoma mansoni survival motor neuron protein 0.0047 0.0222 0.0222
Onchocerca volvulus 0.0047 0.0222 0.0205
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0018 0.0018
Chlamydia trachomatis peptide deformylase 0.0471 0.3325 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0062 0.0331 0.0331
Loa Loa (eye worm) hypothetical protein 0.0062 0.0331 0.1096
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0027 0.0026
Plasmodium vivax SET domain protein, putative 0.0062 0.0331 0.0946
Loa Loa (eye worm) hypothetical protein 0.0047 0.0222 0.0734
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0277 0.0917
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0268 0.0268
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0027 0.0027
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0027 0.0075
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0018 0.0061
Trypanosoma brucei unspecified product 0.002 0.0027 0.0075
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0342 0.0978
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0025 0.0065 0.0134
Toxoplasma gondii t-complex protein beta subunit 0.0025 0.0065 0.0139
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.018 0.1195 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0027 0.0027
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0065 0.0065
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0222 0.0222
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0222 0.0222
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.0054 0.0107
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0027 0.0075
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0027 0.0075
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0027 0.0027
Entamoeba histolytica phosphofructokinase, putative 0.0054 0.0278 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0342 0.0978
Schistosoma mansoni hypothetical protein 0.0047 0.0222 0.0222
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0072 0.0162
Trichomonas vaginalis phosphofructokinase, putative 0.0054 0.0278 0.0756
Brugia malayi MH2 domain containing protein 0.0239 0.1631 0.54
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0025 0.0065 0.0139
Loa Loa (eye worm) MH2 domain-containing protein 0.0239 0.1631 0.54
Echinococcus granulosus single minded 2 0.0037 0.0154 0.0154
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0027 0.0075
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.018 0.1195 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0471 0.3325 1
Schistosoma mansoni ap endonuclease 0.0019 0.0018 0.0018
Echinococcus multilocularis dna polymerase kappa 0.002 0.0027 0.0027
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0268 0.0725
Schistosoma mansoni ap endonuclease 0.0019 0.0018 0.0018
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0331 0.0331
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.0958 0.3171
Mycobacterium ulcerans peptide deformylase 0.0471 0.3325 1
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0342 0.0342
Brugia malayi Cytochrome P450 family protein 0.0054 0.0277 0.0917
Onchocerca volvulus 0.0488 0.3455 1
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.1552 0.1552
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0054 0.0278 0.2209
Loa Loa (eye worm) hypoxia-induced factor 1 0.0156 0.1024 0.339
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0342 0.0342
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0331 0.0331
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0025 0.0065 0.1773
Trypanosoma cruzi Peptide deformylase 2, putative 0.018 0.1195 1
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0025 0.0065 0.0392
Brugia malayi 6-phosphofructokinase 0.0054 0.0278 0.0922
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0027 0.0075
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0026 0.0072 0.0239
Plasmodium vivax peptide deformylase, putative 0.0471 0.3325 1
Schistosoma mansoni microtubule-associated protein tau 0.1383 1 1
Trichomonas vaginalis set domain proteins, putative 0.0488 0.3455 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0062 0.0331 0.0331
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0027 0.0027
Loa Loa (eye worm) T-complex protein 1 0.0025 0.0065 0.0214
Echinococcus granulosus tumor protein p63 0.0326 0.2269 0.2269
Leishmania major T-complex protein 1, beta subunit, putative 0.0025 0.0065 0.0392
Leishmania major DNA polymerase eta, putative 0.002 0.0027 0.0075
Echinococcus granulosus GPCR family 2 0.0047 0.0222 0.0222
Schistosoma mansoni hypothetical protein 0.0047 0.0222 0.0222
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0268 0.0268
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0471 0.3325 1

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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