Natural Product: NPC473358

Natural Product ID:  NPC473358
Common Name:   3,3',5-Tribromo-4,4'-Dihydroxydiphenylmethane
IUPAC Name:   2,6-dibromo-4-[(3-bromo-4-hydroxyphenyl)methyl]phenol
Synonyms:  
Molecular Formula:   C13H9Br3O2
Standard InCHIKey:  CAACPSHFXPZNGM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H9Br3O2/c14-9-4-7(1-2-12(9)17)3-8-5-10(15)13(18)11(16)6-8/h1-2,4-6,17-18H,3H2
Canonical SMILES:  Oc1ccc(cc1Br)Cc1cc(Br)c(c(c1)Br)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO4939 Odonthalia corymbifera Species Rhodomelaceae Eukaryota PMID[18053715]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC > 100 ug/ml 15165161
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 6.25 ug/ml 10924160
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 6.25 ug/ml DrugMatrix in vitro pharmacology data
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 12.5 ug/ml 2045815
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC > 100 ug/ml 3598597
NPT20 Organism Candida albicans Candida albicans MIC > 100 ug/ml 23369536
NPT3173 Organism Arthroderma benhamiae Arthroderma benhamiae MIC > 100 ug/ml 18955522
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC = 6.25 ug/ml 19581457
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC = 6.25 ug/ml 23398362
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 25050881

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC473358 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9804 High Similarity NPC471495
0.9709 High Similarity NPC54543
0.9083 High Similarity NPC94217
0.8991 High Similarity NPC471488
0.8889 High Similarity NPC471487
0.8818 High Similarity NPC33244
0.8796 High Similarity NPC473372
0.8696 High Similarity NPC471486
0.8684 High Similarity NPC38483
0.8559 High Similarity NPC213414
0.8431 Intermediate Similarity NPC45040
0.839 Intermediate Similarity NPC296202
0.8319 Intermediate Similarity NPC105999
0.8305 Intermediate Similarity NPC7830
0.8269 Intermediate Similarity NPC128062
0.8269 Intermediate Similarity NPC151715
0.8246 Intermediate Similarity NPC115803
0.8211 Intermediate Similarity NPC478071
0.819 Intermediate Similarity NPC26244
0.819 Intermediate Similarity NPC274678
0.8182 Intermediate Similarity NPC220311
0.8158 Intermediate Similarity NPC59387
0.8145 Intermediate Similarity NPC475735
0.8145 Intermediate Similarity NPC11449
0.8136 Intermediate Similarity NPC180207
0.8113 Intermediate Similarity NPC473388
0.8049 Intermediate Similarity NPC13004
0.7963 Intermediate Similarity NPC216468
0.7963 Intermediate Similarity NPC51333
0.7963 Intermediate Similarity NPC78119
0.7963 Intermediate Similarity NPC132078
0.7963 Intermediate Similarity NPC92730
0.7953 Intermediate Similarity NPC471328
0.7944 Intermediate Similarity NPC82664
0.7944 Intermediate Similarity NPC292730
0.7944 Intermediate Similarity NPC216520
0.7944 Intermediate Similarity NPC132271
0.7941 Intermediate Similarity NPC252149
0.792 Intermediate Similarity NPC99280
0.792 Intermediate Similarity NPC474091
0.792 Intermediate Similarity NPC474614
0.7903 Intermediate Similarity NPC78061
0.7903 Intermediate Similarity NPC122359
0.7903 Intermediate Similarity NPC159987
0.789 Intermediate Similarity NPC213730
0.7885 Intermediate Similarity NPC258219
0.7885 Intermediate Similarity NPC242240
0.7885 Intermediate Similarity NPC318325
0.7885 Intermediate Similarity NPC123273
0.7874 Intermediate Similarity NPC300678
0.787 Intermediate Similarity NPC225464
0.7864 Intermediate Similarity NPC23167
0.7857 Intermediate Similarity NPC473724
0.7843 Intermediate Similarity NPC175313
0.783 Intermediate Similarity NPC271440
0.7829 Intermediate Similarity NPC309667
0.7818 Intermediate Similarity NPC91461
0.7818 Intermediate Similarity NPC7686
0.7818 Intermediate Similarity NPC40258
0.781 Intermediate Similarity NPC300017
0.7788 Intermediate Similarity NPC113460
0.7788 Intermediate Similarity NPC25493
0.7767 Intermediate Similarity NPC197783
0.7757 Intermediate Similarity NPC76938
0.775 Intermediate Similarity NPC117759
0.7748 Intermediate Similarity NPC168829
0.7748 Intermediate Similarity NPC135784
0.7745 Intermediate Similarity NPC265146
0.7736 Intermediate Similarity NPC304541
0.7724 Intermediate Similarity NPC84606
0.7714 Intermediate Similarity NPC280347
0.7714 Intermediate Similarity NPC177420
0.771 Intermediate Similarity NPC471236
0.771 Intermediate Similarity NPC197766
0.7706 Intermediate Similarity NPC32674
0.7705 Intermediate Similarity NPC136543
0.7692 Intermediate Similarity NPC76400
0.7685 Intermediate Similarity NPC32714
0.7679 Intermediate Similarity NPC471511
0.7679 Intermediate Similarity NPC261573
0.7679 Intermediate Similarity NPC288411
0.7679 Intermediate Similarity NPC8931
0.7679 Intermediate Similarity NPC30506
0.7679 Intermediate Similarity NPC120693
0.7679 Intermediate Similarity NPC119860
0.7674 Intermediate Similarity NPC71888
0.7674 Intermediate Similarity NPC120114
0.7674 Intermediate Similarity NPC163560
0.7674 Intermediate Similarity NPC244890
0.767 Intermediate Similarity NPC248817
0.7664 Intermediate Similarity NPC325292
0.7664 Intermediate Similarity NPC138117
0.7661 Intermediate Similarity NPC137117
0.7656 Intermediate Similarity NPC43613
0.7647 Intermediate Similarity NPC79844
0.7642 Intermediate Similarity NPC219444
0.7642 Intermediate Similarity NPC55561
0.7642 Intermediate Similarity NPC116562
0.7619 Intermediate Similarity NPC104216
0.7615 Intermediate Similarity NPC312155
0.7611 Intermediate Similarity NPC474839
0.7611 Intermediate Similarity NPC233396
0.7611 Intermediate Similarity NPC154899
0.7611 Intermediate Similarity NPC239291
0.7611 Intermediate Similarity NPC138942
0.7603 Intermediate Similarity NPC100395
0.7596 Intermediate Similarity NPC155393
0.7593 Intermediate Similarity NPC316301
0.7593 Intermediate Similarity NPC27323
0.7573 Intermediate Similarity NPC124436
0.757 Intermediate Similarity NPC155908
0.757 Intermediate Similarity NPC204210
0.7568 Intermediate Similarity NPC294741
0.7545 Intermediate Similarity NPC201967
0.7544 Intermediate Similarity NPC188677
0.7544 Intermediate Similarity NPC135464
0.7544 Intermediate Similarity NPC248904
0.7544 Intermediate Similarity NPC92623
0.7544 Intermediate Similarity NPC113457
0.7544 Intermediate Similarity NPC54765
0.7524 Intermediate Similarity NPC407
0.7524 Intermediate Similarity NPC184169
0.7524 Intermediate Similarity NPC307235
0.7523 Intermediate Similarity NPC313650
0.7523 Intermediate Similarity NPC8392
0.7522 Intermediate Similarity NPC327811
0.7522 Intermediate Similarity NPC254965
0.752 Intermediate Similarity NPC236265
0.7519 Intermediate Similarity NPC81137
0.75 Intermediate Similarity NPC12221
0.75 Intermediate Similarity NPC100340
0.75 Intermediate Similarity NPC213471
0.75 Intermediate Similarity NPC143659
0.75 Intermediate Similarity NPC471237
0.75 Intermediate Similarity NPC224663
0.75 Intermediate Similarity NPC229213
0.75 Intermediate Similarity NPC177967
0.748 Intermediate Similarity NPC202776
0.7477 Intermediate Similarity NPC300478
0.7477 Intermediate Similarity NPC130193
0.7477 Intermediate Similarity NPC192
0.7477 Intermediate Similarity NPC275104
0.7477 Intermediate Similarity NPC128723
0.746 Intermediate Similarity NPC142776
0.7453 Intermediate Similarity NPC27974
0.7444 Intermediate Similarity NPC156356
0.744 Intermediate Similarity NPC474169
0.744 Intermediate Similarity NPC473572
0.7422 Intermediate Similarity NPC150929
0.7414 Intermediate Similarity NPC95344
0.7414 Intermediate Similarity NPC11554
0.7414 Intermediate Similarity NPC63698
0.7414 Intermediate Similarity NPC61885
0.7414 Intermediate Similarity NPC262365
0.7414 Intermediate Similarity NPC75440
0.7411 Intermediate Similarity NPC161571
0.7411 Intermediate Similarity NPC248573
0.7411 Intermediate Similarity NPC275053
0.7411 Intermediate Similarity NPC223393
0.7407 Intermediate Similarity NPC306074
0.7407 Intermediate Similarity NPC270547
0.7404 Intermediate Similarity NPC319826
0.7398 Intermediate Similarity NPC474146
0.7391 Intermediate Similarity NPC70843
0.7391 Intermediate Similarity NPC69332
0.7391 Intermediate Similarity NPC29989
0.7391 Intermediate Similarity NPC271274
0.7391 Intermediate Similarity NPC95178
0.7388 Intermediate Similarity NPC160932
0.7387 Intermediate Similarity NPC156313
0.7387 Intermediate Similarity NPC109955
0.7387 Intermediate Similarity NPC107619
0.7387 Intermediate Similarity NPC260000
0.7387 Intermediate Similarity NPC77492
0.7385 Intermediate Similarity NPC259017
0.7383 Intermediate Similarity NPC70436
0.7383 Intermediate Similarity NPC98772
0.7372 Intermediate Similarity NPC122599
0.7372 Intermediate Similarity NPC270848
0.7372 Intermediate Similarity NPC272868
0.7368 Intermediate Similarity NPC102216
0.7368 Intermediate Similarity NPC241891
0.7368 Intermediate Similarity NPC323810
0.736 Intermediate Similarity NPC47790
0.735 Intermediate Similarity NPC62258
0.735 Intermediate Similarity NPC55617
0.735 Intermediate Similarity NPC265211
0.735 Intermediate Similarity NPC306045
0.735 Intermediate Similarity NPC228343
0.735 Intermediate Similarity NPC254833
0.735 Intermediate Similarity NPC88141
0.7348 Intermediate Similarity NPC245386
0.7339 Intermediate Similarity NPC3358
0.7339 Intermediate Similarity NPC162314
0.7339 Intermediate Similarity NPC55903
0.7339 Intermediate Similarity NPC306884
0.7339 Intermediate Similarity NPC94139
0.7339 Intermediate Similarity NPC147284
0.7339 Intermediate Similarity NPC210497
0.7339 Intermediate Similarity NPC181709

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC473358 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.819 Intermediate Similarity NPD2859 Approved
0.819 Intermediate Similarity NPD2860 Approved
0.8095 Intermediate Similarity NPD2934 Approved
0.8095 Intermediate Similarity NPD2933 Approved
0.7963 Intermediate Similarity NPD3020 Approved
0.7679 Intermediate Similarity NPD9244 Approved
0.7593 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7573 Intermediate Similarity NPD111 Approved
0.75 Intermediate Similarity NPD9718 Approved
0.7411 Intermediate Similarity NPD1242 Phase 1
0.735 Intermediate Similarity NPD3022 Approved
0.735 Intermediate Similarity NPD3021 Approved
0.7345 Intermediate Similarity NPD846 Approved
0.7345 Intermediate Similarity NPD940 Approved
0.7239 Intermediate Similarity NPD1169 Approved
0.7231 Intermediate Similarity NPD1223 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD1809 Phase 2
0.7207 Intermediate Similarity NPD844 Approved
0.7182 Intermediate Similarity NPD845 Approved
0.7143 Intermediate Similarity NPD288 Approved
0.7105 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD3028 Approved
0.6967 Remote Similarity NPD2228 Approved
0.6967 Remote Similarity NPD2229 Approved
0.6967 Remote Similarity NPD2234 Approved
0.6949 Remote Similarity NPD968 Approved
0.6939 Remote Similarity NPD2296 Approved
0.6923 Remote Similarity NPD9610 Approved
0.6923 Remote Similarity NPD9608 Approved
0.6891 Remote Similarity NPD2342 Discontinued
0.6777 Remote Similarity NPD1792 Phase 2
0.6777 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6774 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7635 Approved
0.6719 Remote Similarity NPD2286 Discontinued
0.6719 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6693 Remote Similarity NPD1548 Phase 1
0.6693 Remote Similarity NPD3091 Approved
0.6693 Remote Similarity NPD5303 Approved
0.6693 Remote Similarity NPD5304 Approved
0.6667 Remote Similarity NPD9087 Approved
0.6667 Remote Similarity NPD1445 Approved
0.6667 Remote Similarity NPD1444 Approved
0.6667 Remote Similarity NPD228 Approved
0.6641 Remote Similarity NPD4093 Discontinued
0.6639 Remote Similarity NPD5451 Approved
0.6639 Remote Similarity NPD4750 Phase 3
0.6638 Remote Similarity NPD9273 Approved
0.6615 Remote Similarity NPD1610 Phase 2
0.6613 Remote Similarity NPD9379 Approved
0.6613 Remote Similarity NPD9377 Approved
0.6589 Remote Similarity NPD3019 Approved
0.6589 Remote Similarity NPD2932 Approved
0.6589 Remote Similarity NPD4059 Approved
0.6589 Remote Similarity NPD4589 Approved
0.6587 Remote Similarity NPD256 Approved
0.6587 Remote Similarity NPD255 Approved
0.6571 Remote Similarity NPD9088 Approved
0.6557 Remote Similarity NPD2684 Approved
0.6532 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6515 Remote Similarity NPD6583 Phase 3
0.6515 Remote Similarity NPD6582 Phase 2
0.6515 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6515 Remote Similarity NPD4659 Approved
0.649 Remote Similarity NPD4288 Approved
0.6489 Remote Similarity NPD1535 Discovery
0.6489 Remote Similarity NPD3092 Approved
0.648 Remote Similarity NPD5535 Approved
0.6476 Remote Similarity NPD9294 Approved
0.6475 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6462 Remote Similarity NPD1751 Approved
0.6457 Remote Similarity NPD6671 Approved
0.6439 Remote Similarity NPD2562 Approved
0.6439 Remote Similarity NPD1481 Phase 2
0.6439 Remote Similarity NPD2561 Approved
0.6429 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5283 Phase 1
0.6418 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6418 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6418 Remote Similarity NPD4103 Phase 2
0.6418 Remote Similarity NPD1164 Approved
0.6417 Remote Similarity NPD9500 Approved
0.6412 Remote Similarity NPD3421 Phase 3
0.6412 Remote Similarity NPD3847 Discontinued
0.6406 Remote Similarity NPD9568 Approved
0.6378 Remote Similarity NPD475 Phase 2
0.637 Remote Similarity NPD6584 Phase 3
0.6364 Remote Similarity NPD1201 Approved
0.6357 Remote Similarity NPD16 Approved
0.6357 Remote Similarity NPD318 Approved
0.6357 Remote Similarity NPD317 Approved
0.6357 Remote Similarity NPD856 Approved
0.6349 Remote Similarity NPD7843 Approved
0.6349 Remote Similarity NPD821 Approved
0.6349 Remote Similarity NPD2496 Approved
0.6349 Remote Similarity NPD2497 Approved
0.6343 Remote Similarity NPD5310 Approved
0.6343 Remote Similarity NPD5311 Approved
0.6336 Remote Similarity NPD5846 Approved
0.6336 Remote Similarity NPD6516 Phase 2
0.6336 Remote Similarity NPD2668 Approved
0.6336 Remote Similarity NPD2667 Approved
0.6336 Remote Similarity NPD3095 Discontinued
0.633 Remote Similarity NPD9089 Approved
0.6324 Remote Similarity NPD2861 Phase 2
0.632 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6308 Remote Similarity NPD7330 Discontinued
0.6308 Remote Similarity NPD1894 Discontinued
0.6296 Remote Similarity NPD3053 Approved
0.6296 Remote Similarity NPD3055 Approved
0.6296 Remote Similarity NPD3094 Phase 2
0.6279 Remote Similarity NPD7325 Clinical (unspecified phase)
0.6277 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6277 Remote Similarity NPD4908 Phase 1
0.625 Remote Similarity NPD9614 Approved
0.625 Remote Similarity NPD7451 Discontinued
0.625 Remote Similarity NPD497 Approved
0.625 Remote Similarity NPD1793 Approved
0.625 Remote Similarity NPD1616 Discontinued
0.625 Remote Similarity NPD1791 Approved
0.625 Remote Similarity NPD9618 Approved
0.6241 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6241 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6241 Remote Similarity NPD422 Phase 1
0.6239 Remote Similarity NPD9093 Approved
0.6232 Remote Similarity NPD3027 Phase 3
0.623 Remote Similarity NPD1237 Approved
0.6222 Remote Similarity NPD1283 Approved
0.6212 Remote Similarity NPD9384 Approved
0.6212 Remote Similarity NPD9381 Approved
0.621 Remote Similarity NPD290 Approved
0.6204 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6204 Remote Similarity NPD5736 Approved
0.6202 Remote Similarity NPD7157 Approved
0.6202 Remote Similarity NPD709 Approved
0.6194 Remote Similarity NPD2337 Clinical (unspecified phase)
0.6187 Remote Similarity NPD2028 Clinical (unspecified phase)
0.6187 Remote Similarity NPD3764 Approved
0.6187 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6183 Remote Similarity NPD9545 Approved
0.6183 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6176 Remote Similarity NPD1470 Approved
0.6172 Remote Similarity NPD498 Approved
0.6172 Remote Similarity NPD495 Approved
0.6172 Remote Similarity NPD496 Approved
0.616 Remote Similarity NPD74 Approved
0.616 Remote Similarity NPD9266 Approved
0.6154 Remote Similarity NPD405 Clinical (unspecified phase)
0.6154 Remote Similarity NPD3596 Phase 2
0.6148 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6148 Remote Similarity NPD4656 Approved
0.6148 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6148 Remote Similarity NPD1669 Approved
0.6148 Remote Similarity NPD4658 Approved
0.6143 Remote Similarity NPD6407 Approved
0.6143 Remote Similarity NPD6405 Approved
0.6139 Remote Similarity NPD1161 Approved
0.6136 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6136 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6136 Remote Similarity NPD1651 Approved
0.6131 Remote Similarity NPD2194 Approved
0.6131 Remote Similarity NPD2195 Approved
0.6115 Remote Similarity NPD5155 Approved
0.6115 Remote Similarity NPD5156 Approved
0.6107 Remote Similarity NPD9613 Approved
0.6107 Remote Similarity NPD9616 Approved
0.6107 Remote Similarity NPD9615 Approved
0.6099 Remote Similarity NPD4060 Phase 1
0.6099 Remote Similarity NPD1613 Approved
0.6099 Remote Similarity NPD1240 Approved
0.6099 Remote Similarity NPD943 Approved
0.6099 Remote Similarity NPD1612 Clinical (unspecified phase)
0.609 Remote Similarity NPD4626 Approved
0.6087 Remote Similarity NPD3635 Approved
0.6087 Remote Similarity NPD9295 Approved
0.6087 Remote Similarity NPD3637 Approved
0.6087 Remote Similarity NPD3636 Approved
0.608 Remote Similarity NPD9264 Approved
0.608 Remote Similarity NPD9267 Approved
0.608 Remote Similarity NPD9263 Approved
0.6074 Remote Similarity NPD2230 Approved
0.6074 Remote Similarity NPD1608 Approved
0.6074 Remote Similarity NPD2233 Approved
0.6074 Remote Similarity NPD2232 Approved
0.6068 Remote Similarity NPD159 Clinical (unspecified phase)
0.6066 Remote Similarity NPD4817 Approved
0.6066 Remote Similarity NPD4818 Approved
0.6061 Remote Similarity NPD1759 Phase 1
0.6061 Remote Similarity NPD6580 Approved
0.6061 Remote Similarity NPD6581 Approved
0.6061 Remote Similarity NPD1182 Approved
0.6061 Remote Similarity NPD316 Approved
0.6058 Remote Similarity NPD2797 Approved
0.6058 Remote Similarity NPD1133 Approved
0.6058 Remote Similarity NPD1129 Approved
0.6058 Remote Similarity NPD1135 Approved
0.6058 Remote Similarity NPD1131 Approved
0.6058 Remote Similarity NPD1134 Approved
0.6047 Remote Similarity NPD1241 Discontinued
0.6045 Remote Similarity NPD3023 Approved

Structure

External Identifiers

PubChem CID   44446409
ChEMBL   CHEMBL402857
ZINC  

Physicochemical Properties

Molecular Weight:  433.82
ALogP:  2.202
MLogP:  2.34
XLogP:  4.705
# Rotatable Bonds:  7
Polar Surface Area:  40.46
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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