Detailed information for compound 1021430

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.547 | Formula: C26H24N2OS
  • H donors: 1 H acceptors: 1 LogP: 6.07 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCc2c(CC1)c(cc(c2)NC(=O)c1cc2c(s1)cccc2)c1ccccc1
  • InChi: 1S/C26H24N2OS/c1-28-13-11-19-15-21(17-23(22(19)12-14-28)18-7-3-2-4-8-18)27-26(29)25-16-20-9-5-6-10-24(20)30-25/h2-10,15-17H,11-14H2,1H3,(H,27,29)
  • InChiKey: ASASAVQRRQCNEG-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 survival motor neuron protein 1 0.0283 0.2724 1
Plasmodium vivax vivapain-2 0.0048 0.0207 1
Schistosoma mansoni calpain-7 (C02 family) 0.0041 0.0127 0.0476
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Schistosoma mansoni aldehyde dehydrogenase 0.0072 0.0465 0.1737
Brugia malayi Cathepsin L-like precursor 0.0035 0.0066 0.0242
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0076 0.1044
Loa Loa (eye worm) hypothetical protein 0.0283 0.2724 1
Schistosoma mansoni hypothetical protein 0.0038 0.0095 0.0357
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0279 0.2674 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0041 0.0127 0.0476
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0076 0.1044
Echinococcus multilocularis calpain 0.0041 0.0127 0.0127
Onchocerca volvulus 0.0048 0.0207 0.4107
Trypanosoma brucei antigen, putative 0.0041 0.0127 0.0903
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0119 0.0965 0.3544
Brugia malayi Cathepsin L-like precursor 0.0048 0.0207 0.0761
Echinococcus multilocularis calpain A 0.0112 0.0897 0.0897
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Brugia malayi Papain family cysteine protease containing protein 0.0048 0.0207 0.0761
Echinococcus multilocularis calpain 5 0.0041 0.0127 0.0127
Onchocerca volvulus 0.0048 0.0207 0.4107
Trypanosoma cruzi cysteine peptidase, putative 0.016 0.1408 0.5267
Brugia malayi hypothetical protein 0.0283 0.2724 1
Leishmania major cathepsin L-like protease 0.0048 0.0207 0.0984
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0279 0.2674 1
Schistosoma mansoni cathepsin F (C01 family) 0.0048 0.0207 0.0775
Leishmania major cathepsin L-like protease 0.0048 0.0207 0.0984
Schistosoma mansoni calpain C (C02 family) 0.0041 0.0127 0.0476
Leishmania major cathepsin L-like protease 0.0048 0.0207 0.0984
Onchocerca volvulus 0.0048 0.0207 0.4107
Trypanosoma cruzi cysteine peptidase, putative 0.0048 0.0207 0.0775
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Trypanosoma cruzi cruzipain precursor, putative 0.016 0.1408 0.5267
Brugia malayi calpain family protein 1 0.0108 0.0844 0.31
Onchocerca volvulus Cathepsin F homolog 0.0048 0.0207 0.4107
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0048 0.0207 0.2842
Echinococcus granulosus calpain 7 C02 family 0.0041 0.0127 0.0467
Loa Loa (eye worm) hypothetical protein 0.0095 0.0714 0.2438
Plasmodium vivax calpain, putative 0.0041 0.0127 0.6136
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0041 0.0127 0.0903
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0041 0.0127 0.0476
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0095 0.035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0119 0.0965 0.3384
Giardia lamblia Cathepsin B precursor 0.0097 0.0729 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0048 0.0207 0.0207
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0311 0.1142
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0076 0.0076
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0036 0.5
Onchocerca volvulus 0.0067 0.041 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0048 0.0207 0.2842
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Brugia malayi Inositol-1 0.0036 0.0076 0.028
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0048 0.0207 0.2842
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0048 0.0207 0.2842
Trypanosoma brucei calpain-like protein, putative 0.0041 0.0127 0.0903
Leishmania major cathepsin L-like protease 0.016 0.1408 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0095 0.0111
Schistosoma mansoni inositol monophosphatase 0.0036 0.0076 0.0285
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0048 0.0207 0.2842
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0072 0.0465 1
Echinococcus granulosus calpain 0.0041 0.0127 0.0467
Loa Loa (eye worm) hypothetical protein 0.0119 0.0965 0.3384
Trypanosoma brucei cysteine peptidase C (CPC) 0.0097 0.0729 0.5179
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0112 0.0897 0.3353
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0095 0.035
Onchocerca volvulus 0.0048 0.0207 0.4107
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0072 0.0465 0.0465
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Loa Loa (eye worm) fibroinase 0.0048 0.0207 0.0532
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0095 0.035
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0076 0.3674
Loa Loa (eye worm) hypothetical protein 0.0081 0.0563 0.1869
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0048 0.0207 0.2842
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0072 0.0465 0.2915
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0048 0.0207 0.2842
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0112 0.0897 0.0897
Toxoplasma gondii cathepsin CPL 0.0048 0.0207 0.2007
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0041 0.0127 0.0476
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0041 0.0127 0.0383
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0041 0.0127 0.0476
Schistosoma mansoni Mername-AA248 (C02 family) 0.0041 0.0127 0.0476
Trypanosoma brucei calpain-like protein, putative 0.0041 0.0127 0.0903
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Schistosoma mansoni cathepsin F (C01 family) 0.0035 0.0066 0.0247
Loa Loa (eye worm) inositol-1 0.0036 0.0076 0.0038
Leishmania major cathepsin L-like protease 0.016 0.1408 1
Brugia malayi calpain 7 0.0041 0.0127 0.0467
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0097 0.0729 0.4903
Onchocerca volvulus 0.0048 0.0207 0.4107
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0076 0.0285
Echinococcus granulosus calpain A 0.0112 0.0897 0.3292
Echinococcus multilocularis cysteine protease 0.0048 0.0207 0.0207
Giardia lamblia Cathepsin B precursor 0.0097 0.0729 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0095 0.0357
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0041 0.0127 0.0383
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0066 0.0904
Entamoeba histolytica cysteine proteinase, putative 0.0048 0.0207 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0048 0.0207 0.2842
Loa Loa (eye worm) calpain 0.0041 0.0127 0.023
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0076 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0279 0.2674 1
Onchocerca volvulus Cathepsin L homolog 0.0048 0.0207 0.4107
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0097 0.0729 0.2728
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 0.0465 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0048 0.0207 0.0532
Loa Loa (eye worm) calpain family protein 1 0.0079 0.0541 0.1786
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0048 0.0207 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0097 0.0729 0.2728
Echinococcus granulosus cathepsin L cysteine proteinase 0.0048 0.0207 0.0761
Brugia malayi Cathepsin L-like precursor 0.0035 0.0066 0.0242
Brugia malayi cathepsin B-like cysteine proteinase 0.0279 0.2674 0.9817
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0041 0.0127 0.0476
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0035 0.0066 0.0904
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0147 0.1267 0.4739
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Leishmania major cathepsin L-like protease 0.0048 0.0207 0.0984
Brugia malayi latrophilin 2 splice variant baaae 0.0081 0.0563 0.2066
Loa Loa (eye worm) cathepsin B 0.0097 0.0729 0.2496
Echinococcus granulosus cathepsin l1 0.0048 0.0207 0.0761
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0041 0.0127 0.0383
Schistosoma mansoni calpain (C02 family) 0.0041 0.0127 0.0476
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0041 0.0127 0.0476
Echinococcus granulosus cathepsin b 0.0279 0.2674 0.9817
Brugia malayi cathepsin L-like precursor 0.0035 0.0066 0.0242
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0279 0.2674 1
Plasmodium vivax vivapain-2 0.0048 0.0207 1
Entamoeba histolytica cysteine proteinase, putative 0.0048 0.0207 1
Echinococcus multilocularis survival motor neuron protein 1 0.0283 0.2724 0.2724
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0041 0.0127 0.0476
Loa Loa (eye worm) hypothetical protein 0.0108 0.0844 0.2929
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 0.0465 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0311 0.1163
Schistosoma mansoni hypothetical protein 0.0038 0.0095 0.0357
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0041 0.0127 0.0476
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0108 0.0844 0.3158
Loa Loa (eye worm) hypothetical protein 0.0079 0.0541 0.1786
Loa Loa (eye worm) cysteine protease 0.0048 0.0207 0.0532
Toxoplasma gondii aldehyde dehydrogenase 0.0072 0.0465 0.5946
Leishmania major cathepsin L-like protease 0.0048 0.0207 0.0984
Echinococcus multilocularis cysteine protease 0.0048 0.0207 0.0207
Echinococcus multilocularis GPCR, family 2 0.0038 0.0095 0.0095
Echinococcus granulosus cathepsin l1 0.0035 0.0066 0.0242
Schistosoma mansoni cathepsin F (C01 family) 0.0048 0.0207 0.0775
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0112 0.0897 0.3292
Schistosoma mansoni calpain-7 (C02 family) 0.0041 0.0127 0.0476
Leishmania major cathepsin L-like protease 0.016 0.1408 1
Schistosoma mansoni hypothetical protein 0.0038 0.0095 0.0357
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0095 0.0095
Giardia lamblia Cathepsin B precursor 0.0097 0.0729 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0072 0.0465 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0048 0.0207 0.0532
Echinococcus multilocularis cathepsin b 0.0279 0.2674 0.2674
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0095 0.035
Plasmodium falciparum cysteine proteinase falcipain 3 0.0048 0.0207 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0076 0.1044
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0048 0.0207 0.2842
Echinococcus multilocularis cathepsin b 0.0279 0.2674 0.2674
Echinococcus granulosus calpain 5 0.0041 0.0127 0.0467
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0041 0.0127 0.0903
Loa Loa (eye worm) hypothetical protein 0.0038 0.0095 0.0111
Echinococcus granulosus calpain A 0.0041 0.0127 0.0467
Trypanosoma cruzi cysteine peptidase, putative 0.016 0.1408 0.5267
Onchocerca volvulus 0.0058 0.0311 0.7122
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0076 0.028
Brugia malayi calpain family protein 1 0.0108 0.0844 0.31
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0041 0.0127 0.0476
Echinococcus multilocularis calpain 7 (C02 family) 0.0041 0.0127 0.0127
Brugia malayi Cathepsin L-like precursor 0.0048 0.0207 0.0761
Trypanosoma brucei calpain-like protein, putative 0.0041 0.0127 0.0903
Onchocerca volvulus Cathepsin L homolog 0.0048 0.0207 0.4107
Leishmania major cysteine peptidase A (CPA) 0.0048 0.0207 0.0984
Echinococcus granulosus cathepsin b 0.0279 0.2674 0.9817
Echinococcus multilocularis cathepsin L cysteine protease 0.0048 0.0207 0.0207
Brugia malayi Cathepsin L-like precursor 0.0048 0.0207 0.0761
Echinococcus multilocularis cathepsin L cysteine protease 0.0048 0.0207 0.0207
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0072 0.0465 0.1706
Brugia malayi Cathepsin L-like cysteine proteinase 0.0035 0.0066 0.0242
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0076 0.0285
Onchocerca volvulus 0.0048 0.0207 0.4107
Loa Loa (eye worm) hypothetical protein 0.0067 0.041 0.1294
Echinococcus multilocularis hypothetical protein 0.0041 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0532
Schistosoma mansoni aldehyde dehydrogenase 0.0072 0.0465 0.1737
Entamoeba histolytica cysteine proteinase, putative 0.0035 0.0066 0.3182
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0041 0.0127 0.0476
Onchocerca volvulus 0.0048 0.0207 0.4107
Schistosoma mansoni hypothetical protein 0.0081 0.0563 0.2104
Trypanosoma cruzi cysteine peptidase, putative 0.016 0.1408 0.5267
Brugia malayi Cathepsin L-like precursor 0.0048 0.0207 0.0761
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0076 0.0541
Schistosoma mansoni inositol monophosphatase 0.0036 0.0076 0.0285
Echinococcus granulosus cathepsin l cysteine peptidase 0.0048 0.0207 0.0761
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.016 0.1408 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0048 0.0207 0.0207
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0048 0.0207 0.2842
Loa Loa (eye worm) hypothetical protein 0.0279 0.2674 0.9812
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0048 0.0207 0.2842
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0097 0.0729 1
Loa Loa (eye worm) ctsf protein 0.0048 0.0207 0.0532
Brugia malayi Cathepsin L-like precursor 0.0048 0.0207 0.0761
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0112 0.0897 0.3353
Toxoplasma gondii cathepsin B 0.0097 0.0729 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Trypanosoma brucei calpain-like protein, putative 0.0041 0.0127 0.0903
Loa Loa (eye worm) calpain family protein 1 0.0108 0.0844 0.2929
Entamoeba histolytica cysteine protease, putative 0.0048 0.0207 1
Schistosoma mansoni hypothetical protein 0.0058 0.0311 0.1163
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0048 0.0207 0.2842
Echinococcus multilocularis calpain family protein 1, d 0.0079 0.0541 0.0541
Echinococcus granulosus GPCR family 2 0.0038 0.0095 0.035
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0095 0.0095
Brugia malayi Calcitonin receptor-like protein seb-1 0.0119 0.0965 0.3544
Trypanosoma cruzi major cysteine proteinase, putative 0.0128 0.106 0.3964
Brugia malayi Cathepsin L-like precursor 0.0048 0.0207 0.0761
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0048 0.0207 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0279 0.2674 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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