Detailed information for compound 1168008

Basic information

Technical information
  • TDR Targets ID: 1168008
  • Name: N-[3-(6,6-dimethyloxan-3-yl)-3-(2-methoxyphen yl)propyl]-N-(1-phenylethyl)acetamide
  • MW: 423.588 | Formula: C27H37NO3
  • H donors: 0 H acceptors: 1 LogP: 4.91 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(C1CCC(OC1)(C)C)CCN(C(c1ccccc1)C)C(=O)C
  • InChi: 1S/C27H37NO3/c1-20(22-11-7-6-8-12-22)28(21(2)29)18-16-24(23-15-17-27(3,4)31-19-23)25-13-9-10-14-26(25)30-5/h6-14,20,23-24H,15-19H2,1-5H3
  • InChiKey: OEXWBBSZVDWIDB-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[3-(6,6-dimethyltetrahydropyran-3-yl)-3-(2-methoxyphenyl)propyl]-N-(1-phenylethyl)acetamide
  • N-[3-(6,6-dimethyl-3-tetrahydropyranyl)-3-(2-methoxyphenyl)propyl]-N-(1-phenylethyl)acetamide
  • N-[3-(6,6-dimethyloxan-3-yl)-3-(2-methoxyphenyl)propyl]-N-(1-phenylethyl)ethanamide
  • N-[3-(2,2-Dimethyloxan-4-yl)-3-(2-methoxyphenyl)-propyl]-N-(1-phenylethyl)acetamide
  • nchembio852-compR5

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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0998 0.0998
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 1 1
Schistosoma mansoni hypothetical protein 0.0021 0.0395 0.0974
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0866 0.2136
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0866 0.1509
Loa Loa (eye worm) RNA binding protein 0.0138 0.4053 0.6437
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0424 0.4252
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0509 0.1256
Onchocerca volvulus 0.0036 0.0866 0.1203
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0077 0.0123
Loa Loa (eye worm) hypothetical protein 0.0036 0.0866 0.1375
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0649 0.1602
Trypanosoma brucei unspecified product 0.0015 0.0214 0.2147
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0214 0.2147
Brugia malayi TAR-binding protein 0.0138 0.4053 0.6437
Plasmodium vivax SET domain protein, putative 0.0031 0.0705 0.7059
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0866 0.0866
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0424 0.1047
Trypanosoma cruzi cytochrome P450, putative 0.0014 0.0174 0.1748
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0998 0.0998
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0019 0.0047
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Trypanosoma cruzi ISWI complex protein 0.0015 0.0227 0.2277
Loa Loa (eye worm) CYP4Cod1 0.0014 0.0174 0.0277
Trypanosoma brucei unspecified product 0.0015 0.0214 0.2147
Schistosoma mansoni zinc finger protein 0.0015 0.0227 0.0561
Trichomonas vaginalis set domain proteins, putative 0.0239 0.7198 0.7198
Trypanosoma brucei ISWI complex protein 0.0015 0.0227 0.2277
Mycobacterium ulcerans lipase LipD 0.0036 0.0866 0.1509
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0048 0.1239 0.3058
Leishmania major DNA polymerase eta, putative 0.0022 0.0424 0.4252
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0424 0.0674
Schistosoma mansoni tar DNA-binding protein 0.0138 0.4053 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.4053 1
Brugia malayi Pre-SET motif family protein 0.021 0.6296 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.1674 0.4131
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0866 0.1256
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0998 0.0998
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0866 0.1256
Echinococcus multilocularis zinc finger protein 0.0021 0.0416 0.1026
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0019 0.0047
Schistosoma mansoni cpg binding protein 0.0034 0.0817 0.2015
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0998 0.2463
Brugia malayi PHD-finger family protein 0.0027 0.0583 0.0926
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0302 0.0479
Echinococcus granulosus cpg binding protein 0.0034 0.0817 0.2015
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0214 0.2147
Brugia malayi RNA recognition motif domain containing protein 0.0138 0.4053 0.6437
Loa Loa (eye worm) beta-lactamase 0.0036 0.0866 0.1375
Brugia malayi beta-lactamase family protein 0.0036 0.0866 0.1375
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0866 0.0866
Schistosoma mansoni DNA polymerase eta 0.0022 0.0424 0.1047
Treponema pallidum fructose-bisphosphate aldolase 0.0329 1 1
Onchocerca volvulus 0.0031 0.0705 0.0979
Echinococcus multilocularis cpg binding protein 0.0034 0.0817 0.2015
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0019 0.0047
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0282 0.0697
Trichomonas vaginalis esterase, putative 0.0036 0.0866 0.0866
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0866 0.2136
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1025 0.1628
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0424 0.0424
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.1808 0.446
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0998 0.0998
Schistosoma mansoni cpg binding protein 0.0031 0.0702 0.1733
Loa Loa (eye worm) hypothetical protein 0.0039 0.0951 0.151
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0424 0.0546
Loa Loa (eye worm) hypothetical protein 0.0036 0.0866 0.1375
Schistosoma mansoni tar DNA-binding protein 0.0138 0.4053 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0424 0.4252
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0282 0.0697
Giardia lamblia Fructose-bisphosphate aldolase 0.0329 1 1
Echinococcus granulosus dna polymerase kappa 0.0022 0.0424 0.1047
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0866 0.8673
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Leishmania major hypothetical protein, conserved 0.0015 0.0227 0.2277
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0019 0.0047
Onchocerca volvulus 0.0239 0.7198 1
Onchocerca volvulus 0.0036 0.0866 0.1203
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1168 0.1856
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1168 0.2882
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0866 0.1256
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0077 0.0191
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0866 0.1375
Brugia malayi Bromodomain containing protein 0.0077 0.2154 0.3422
Loa Loa (eye worm) hypothetical protein 0.0036 0.0866 0.1375
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0998 0.1448
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0866 0.1256
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0998 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1168 0.1856
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0424 0.1047
Mycobacterium tuberculosis Conserved protein 0.0036 0.0866 0.1256
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0424 0.4252
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0174 0.0277
Trypanosoma brucei cytochrome P450, putative 0.0014 0.0174 0.1748
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0424 0.1047
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0998 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0214 0.2147
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0161 0.4756 0.6901
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0998 0.0998
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0998 1
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0424 0.0674
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0161 0.4756 1
Echinococcus multilocularis dna polymerase eta 0.0022 0.0424 0.1047
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0424 0.1047
Brugia malayi CXXC zinc finger family protein 0.0031 0.0702 0.1116
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0395 0.0627
Brugia malayi Bromodomain containing protein 0.0039 0.0949 0.1507
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0866 0.8673
Onchocerca volvulus 0.0036 0.0866 0.1203
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0866 0.8673
Schistosoma mansoni tar DNA-binding protein 0.0138 0.4053 1
Trypanosoma cruzi cytochrome P450, putative 0.0014 0.0174 0.1748
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0998 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0866 0.1256
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0424 0.0546
Brugia malayi RNA binding protein 0.0138 0.4053 0.6437
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1168 0.2882
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0866 0.0866
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0048 0.1239 0.3058
Schistosoma mansoni cpg binding protein 0.0034 0.0817 0.2015
Loa Loa (eye worm) TAR-binding protein 0.0138 0.4053 0.6437
Toxoplasma gondii exonuclease III APE 0.004 0.0998 0.5994
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0866 0.1375
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0161 0.4756 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0866 0.1375
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0705 0.1739
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0874 0.2158
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Loa Loa (eye worm) hypothetical protein 0.0045 0.114 0.181
Giardia lamblia DINP protein human, muc B family 0.0022 0.0424 0.0424
Mycobacterium ulcerans hypothetical protein 0.0036 0.0866 0.1509
Schistosoma mansoni zinc finger protein 0.0021 0.0416 0.1026
Leishmania major hypothetical protein, conserved 0.0036 0.0866 0.8673
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.6296 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0424 0.0616
Loa Loa (eye worm) hypothetical protein 0.0071 0.1966 0.3122
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0509 0.1256
Mycobacterium ulcerans beta-lactamase 0.0036 0.0866 0.1509
Onchocerca volvulus 0.0031 0.0702 0.0976
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0866 0.2136
Loa Loa (eye worm) hypothetical protein 0.0048 0.1239 0.1969
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0702 0.1116
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0866 0.1256
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0424 0.0424
Brugia malayi beta-lactamase family protein 0.0036 0.0866 0.1375
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.1665 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.1239 0.3058
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0866 0.1509
Trypanosoma cruzi ISWI complex protein 0.0015 0.0227 0.2277
Leishmania major cytochrome p450-like protein 0.0014 0.0174 0.1748
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0174 0.0277
Brugia malayi Cytochrome P450 family protein 0.0014 0.0174 0.0277
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0705 0.1739
Schistosoma mansoni hypothetical protein 0.0015 0.0227 0.0561
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0134 0.0212
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Mycobacterium tuberculosis Conserved protein 0.0036 0.0866 0.1256
Mycobacterium tuberculosis Conserved protein 0.0036 0.0866 0.1256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1168 0.2882
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0509 0.1256
Brugia malayi Cytochrome P450 family protein 0.0014 0.0174 0.0277
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0705 0.1739
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0282 0.0697
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.6892 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0077 0.0191
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1168 0.2882
Brugia malayi beta-lactamase 0.0036 0.0866 0.1375
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0048 0.1239 0.3058
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0866 0.2136
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0705 0.4231
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0866 0.1256
Toxoplasma gondii ABC1 family protein 0.0036 0.0866 0.5198
Loa Loa (eye worm) hypothetical protein 0.0036 0.0866 0.1375
Echinococcus multilocularis tar DNA binding protein 0.0138 0.4053 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0998 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0874 0.2158
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Loa Loa (eye worm) hypothetical protein 0.0036 0.0866 0.1375
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0138 0.4053 0.6437
Trypanosoma brucei unspecified product 0.0022 0.0424 0.4252
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1168 0.2882
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0866 0.0866
Schistosoma mansoni ap endonuclease 0.004 0.0998 0.2463
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0866 0.0866
Brugia malayi Pre-SET motif family protein 0.0031 0.0705 0.1119
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0424 0.4252
Schistosoma mansoni bromodomain containing protein 0.0065 0.1787 0.4408
Echinococcus granulosus zinc finger protein 0.0021 0.0416 0.1026
Loa Loa (eye worm) hypothetical protein 0.0022 0.0424 0.0674
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0424 0.0616
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.0082
Schistosoma mansoni ap endonuclease 0.004 0.0998 0.2463
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0998 0.1586
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1168 0.2882
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0282 0.0697
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0998 0.1586
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1168 0.2882
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0329 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0998 0.1798
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0998 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0424 0.0674
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0329 1 1
Echinococcus granulosus dna polymerase eta 0.0022 0.0424 0.1047
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0424 0.4252
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0424 0.1047
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0019 0.0047
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0424 0.4252
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.1674 0.4131
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0998 0.2463
Leishmania major DNA polymerase kappa, putative 0.0022 0.0424 0.4252
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0998 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0424 0.0424
Echinococcus granulosus tar DNA binding protein 0.0138 0.4053 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.4053 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0866 0.8673

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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