Detailed information for compound 1611396

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 415.524 | Formula: C27H29NO3
  • H donors: 1 H acceptors: 1 LogP: 5.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1OCCNCC1CCC(C1=O)(c1ccccc1)c1ccccc1
  • InChi: 1S/C27H29NO3/c1-30-24-14-8-9-15-25(24)31-19-18-28-20-21-16-17-27(26(21)29,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,21,28H,16-20H2,1H3
  • InChiKey: QLQDGQGXEOZRKZ-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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0411 0.0975 0.0975
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0239 0.0423 0.0406
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0239 0.0423 0.0091
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0112 0.0018 0.5
Toxoplasma gondii FATC domain-containing protein 0.063 0.1675 0.1872
Trichomonas vaginalis PIKK family atypical protein kinase 0.2415 0.7385 0.7385
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0341 0.0751 0.0734
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0112 0.0018 0.0018
Entamoeba histolytica hypothetical protein 0.0219 0.0359 0.0342
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0308 0.0646 0.0629
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0114 0.0024 0.0006
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0411 0.0974 0.0957
Echinococcus granulosus serine protein kinase ATM 0.063 0.1675 0.1659
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0478 0.1187 0.1171
Leishmania major hypothetical protein, unknown function 0.0219 0.0359 0.0342
Trichomonas vaginalis fk506-binding protein, putative 0.0112 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.1765 0.5306 0.5306
Leishmania major phosphatidylinositol kinase related protein, putative 0.0219 0.0359 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.258 0.7912 0.7912
Loa Loa (eye worm) phosphatidylinositol 3 0.3233 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1763 0.5297 0.5297
Leishmania major phosphatidylinositol kinase, putative 0.0219 0.0359 0.0342
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0359 0.0342
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.063 0.1675 0.1659
Entamoeba histolytica hypothetical protein 0.0219 0.0359 0.0342
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0219 0.0359 0.0342
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.063 0.1675 0.1659
Trichomonas vaginalis PIKK family atypical protein kinase 0.1123 0.3252 0.3252
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0219 0.0359 0.0342
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1112 0.3218 0.3205
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.3233 1 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0239 0.0423 0.0406
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0279 0.0553 0.0535
Onchocerca volvulus 0.0219 0.0359 0.5
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0641 0.1709 0.1694
Trichomonas vaginalis PIKK family atypical protein kinase 0.1112 0.3218 0.3218
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0239 0.0423 1
Brugia malayi FAT domain containing protein 0.0482 0.1203 0.1187
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0359 0.0342
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1354 0.399 0.3979
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0349 0.0776 0.0776
Echinococcus multilocularis 0.0219 0.0359 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.1112 0.3218 0.3218
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.3233 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0359 0.0342
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0239 0.0423 0.0406
Schistosoma mansoni hypothetical protein 0.0482 0.1203 0.1187
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.3233 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0239 0.0423 0.0406
Trichomonas vaginalis PIKK family atypical protein kinase 0.0219 0.0359 0.0359
Trichomonas vaginalis PIKK family atypical protein kinase 0.2415 0.7385 0.7385
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.063 0.1675 0.1659
Mycobacterium leprae conserved hypothetical protein 0.0219 0.0359 0.5
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1163 0.338 0.3368
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0239 0.0423 0.0406
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0239 0.0423 0.0406
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0239 0.0423 0.0406
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0219 0.0359 0.0342
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0359 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.2415 0.7385 0.7385
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0359 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.1933 0.5842 0.5842
Toxoplasma gondii target of rapamycin (TOR), putative 0.2415 0.7385 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1763 0.5297 0.5297
Entamoeba histolytica hypothetical protein 0.0219 0.0359 0.0342
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.3233 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.2583 0.792 0.7917
Loa Loa (eye worm) hypothetical protein 0.0701 0.1903 0.1888
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0411 0.0974 0.0957
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0174 0.0218 0.02
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0482 0.1203 0.1187
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0219 0.0359 0.8425
Entamoeba histolytica hypothetical protein 0.063 0.1675 0.1659
Loa Loa (eye worm) hypothetical protein 0.0411 0.0975 0.0958
Giardia lamblia Phosphatidylinositol 4-kinase 0.0219 0.0359 0.0342
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.3233 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3233 1 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0219 0.0359 0.8425
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0279 0.0553 0.0553
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0359 0.0342
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0341 0.0751 0.0734
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0411 0.0974 0.0974
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0219 0.0359 0.8425
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0219 0.0359 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.0641 0.1709 0.1709
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0701 0.1903 0.2196
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0112 0.0018 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.3233 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0219 0.0359 0.0342
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0585 0.1532 0.1516
Trichomonas vaginalis PIKK family atypical protein kinase 0.2415 0.7385 0.7385
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0359 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.2169 0.6597 0.6597
Trichomonas vaginalis immunophilin, putative 0.0112 0.0018 0.0018
Echinococcus multilocularis serine protein kinase ATM 0.063 0.1675 0.1659
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0585 0.1532 0.1516
Trypanosoma brucei target of rapamycin kinase 3, putative 0.2583 0.792 0.7917
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0219 0.0359 0.0342
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0359 0.0342
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0219 0.0359 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.2415 0.7385 0.7385
Leishmania major phosphatidylinositol 3-kinase, putative 0.0239 0.0423 0.0406
Entamoeba histolytica hypothetical protein 0.037 0.0845 0.0828
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0219 0.0359 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.2415 0.7385 0.7385
Trichomonas vaginalis PIKK family atypical protein kinase 0.3233 1 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.063 0.1675 0.1659
Trichomonas vaginalis PIKK family atypical protein kinase 0.1765 0.5306 0.5306
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0411 0.0974 0.0974
Giardia lamblia Hypothetical protein 0.0219 0.0359 0.0342
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0279 0.0553 0.0553
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.063 0.1675 0.1659
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0411 0.0974 0.0957
Trichomonas vaginalis PIKK family atypical protein kinase 0.258 0.7912 0.7912
Onchocerca volvulus 0.0219 0.0359 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0359 0.0342
Loa Loa (eye worm) hypothetical protein 0.063 0.1675 0.1659
Schistosoma mansoni hypothetical protein 0.0219 0.0359 0.0342
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0219 0.0359 0.0342
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0411 0.0974 0.0957
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.2583 0.792 0.7917
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0239 0.0423 0.0406
Loa Loa (eye worm) phosphatidylinositol 3 0.0545 0.1402 0.1387
Trichomonas vaginalis PIKK family atypical protein kinase 0.1933 0.5842 0.5842
Trichomonas vaginalis conserved hypothetical protein 0.0482 0.1203 0.1203
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0239 0.0423 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.1763 0.5297 0.5297
Schistosoma mansoni voltage-gated potassium channel 0.0124 0.0057 0.0039
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.037 0.0845 0.0828
Trichomonas vaginalis conserved hypothetical protein 0.0411 0.0975 0.0975
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0279 0.0553 0.0535
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0112 0.0018 0.0018
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0219 0.0359 0.0342
Plasmodium vivax hypothetical protein, conserved 0.0219 0.0359 0.8425
Trichomonas vaginalis PIKK family atypical protein kinase 0.193 0.5833 0.5833
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0279 0.0553 0.0553
Trichomonas vaginalis PIKK family atypical protein kinase 0.063 0.1675 0.1675
Trichomonas vaginalis PIKK family atypical protein kinase 0.3233 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0279 0.0553 0.0535
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0114 0.0024 0.0006
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1163 0.338 0.3368
Trichomonas vaginalis PIKK family atypical protein kinase 0.1933 0.5842 0.5842
Leishmania major phosphatidylinositol 3-kinase, putative 0.1112 0.3218 0.3205
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1163 0.338 0.3368
Trichomonas vaginalis conserved hypothetical protein 0.0701 0.1903 0.1903
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.3233 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0192 0.0274 0.0256
Loa Loa (eye worm) hypothetical protein 0.0341 0.0751 0.0734
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0114 0.0024 0.0006
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0301 0.0622 0.0604
Loa Loa (eye worm) phosphatidylinositol kinase 0.0219 0.0359 0.0342
Loa Loa (eye worm) hypothetical protein 0.0482 0.1203 0.1187
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1163 0.338 0.3368
Echinococcus multilocularis Zinc finger, PHD finger 0.0239 0.0423 0.0406
Plasmodium vivax hypothetical protein 0.0219 0.0359 0.8425
Leishmania major hypothetical protein, conserved 0.0311 0.0653 0.0636
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1163 0.338 0.3368
Leishmania major phosphatidylinositol 4-kinase, putative 0.0219 0.0359 0.0342
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1163 0.338 0.3368
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.063 0.1675 0.1659
Giardia lamblia GTOR 0.3233 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1112 0.3218 0.3218
Loa Loa (eye worm) hypothetical protein 0.0219 0.0359 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.258 0.7912 0.7912
Trichomonas vaginalis PIKK family atypical protein kinase 0.063 0.1675 0.1675
Schistosoma mansoni voltage-gated potassium channel 0.0124 0.0057 0.0039
Trichomonas vaginalis PIKK family atypical protein kinase 0.1112 0.3218 0.3218
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0349 0.0776 0.0776
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0114 0.0024 0.0006
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0239 0.0423 0.0423
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0219 0.0359 0.0359
Trichomonas vaginalis PIKK family atypical protein kinase 0.2098 0.6369 0.6369
Loa Loa (eye worm) hypothetical protein 0.065 0.1739 0.1724
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0411 0.0974 0.0974
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0482 0.1203 0.1187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0869 0.2439 0.2439
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0239 0.0423 0.0406
Trichomonas vaginalis PIKK family atypical protein kinase 0.193 0.5833 0.5833
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0219 0.0359 0.0359
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.3233 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0259 0.0489 0.0471
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.3233 1 1
Entamoeba histolytica protein kinase rad3, putative 0.063 0.1675 0.1659
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0279 0.0553 0.0535
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1123 0.3252 0.324
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0411 0.0975 0.0958
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0359 0.0342
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0341 0.0751 0.0734
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0239 0.0423 0.0406
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1522 0.4527 0.4517
Trichomonas vaginalis PIKK family atypical protein kinase 0.258 0.7912 0.7912
Mycobacterium tuberculosis Conserved hypothetical protein 0.0219 0.0359 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.2751 0.8457 0.8457
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0219 0.0359 0.0342
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0239 0.0423 0.0406
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0239 0.0423 0.0406
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.3233 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0239 0.0423 0.0423
Loa Loa (eye worm) phosphatidylinositol 3 0.1123 0.3252 0.324
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0239 0.0423 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1765 0.5306 0.5306
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0585 0.1532 0.1516
Trichomonas vaginalis PIKK family atypical protein kinase 0.258 0.7912 0.7912
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0279 0.0553 0.0535
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0239 0.0423 0.0091
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0219 0.0359 0.8425
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1123 0.3252 0.324
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.063 0.1675 0.1659
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0219 0.0359 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.1765 0.5306 0.5306
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0478 0.1187 0.1171
Trichomonas vaginalis PIKK family atypical protein kinase 0.2415 0.7385 0.7385
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0239 0.0423 0.0406
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0359 0.0342
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.3233 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0279 0.0553 0.0535
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0219 0.0359 0.8425
Trichomonas vaginalis PIKK family atypical protein kinase 0.0219 0.0359 0.0359
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.063 0.1675 0.1659
Echinococcus granulosus serine:threonine protein kinase SMG1 0.063 0.1675 0.1659

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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