 | | W7U | | Name: | (5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol | | Formula: | C11 H13 Cl N2 O S | | SMILES: | CN1N=C(CSc2ccc(Cl)cc2)CC1O | | InChi: | InChI=1S/C11H13ClN2OS/c1-14-11(15)6-9(13-14)7-16-10-4-2-8(12)3-5-10/h2-5,11,15H,6-7H2,1H3 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (5R)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-4,5-dihydro-1H-pyrazol-5-ol |
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 | | W7Z | | Name: | (8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C19 H15 Cl N4 O2 | | SMILES: | Clc1cccc(OCC2=CC(=O)n3nc(nc3N2)c2ccccc2)c1C | | InChi: | InChI=1S/C19H15ClN4O2/c1-12-15(20)8-5-9-16(12)26-11-14-10-17(25)24-19(21-14)22-18(23-24)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,21,22,23) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | KT6 | | Name: | 4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide | | Formula: | C9 H9 Cl2 N O2 S | | SMILES: | OCCNC(=O)c1cc(Cl)c(Cl)cc1S | | InChi: | InChI=1S/C9H9Cl2NO2S/c10-6-3-5(8(15)4-7(6)11)9(14)12-1-2-13/h3-4,13,15H,1-2H2,(H,12,14) | | Synonyms: | 5,6-Dichloro-2-(2-hydroxyethyl)-1,2-benzisothiazol-3-one (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 4,5-bis(chloranyl)-~{N}-(2-hydroxyethyl)-2-sulfanyl-benzamide |
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 | | W8C | | Name: | 5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol | | Formula: | C12 H13 N3 O S | | SMILES: | C=CCn1c(S)nnc1OCc1ccccc1 | | InChi: | InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)16-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
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 | | KTI | | Name: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide | | Formula: | C16 H14 Cl2 N2 O4 S | | SMILES: | COc1ccc(NC(=O)C=C(Cl)[S](=O)(=O)Cc2ccccc2Cl)nc1 | | InChi: | InChI=1S/C16H14Cl2N2O4S/c1-24-12-6-7-15(19-9-12)20-16(21)8-14(18)25(22,23)10-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3,(H,19,20,21)/b14-8- | | Synonyms: | (E)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfonyl]-N-(6-methoxypyridin-2-yl)prop-2-enamide (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (~{E})-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-~{N}-(5-methoxypyridin-2-yl)prop-2-enamide |
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 | | W8H | | Name: | (2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid | | Formula: | C19 H21 Cl O2 S2 | | SMILES: | Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O)O)cc1 | | InChi: | InChI=1S/C19H21ClO2S2/c1-14-5-9-17(10-6-14)24-18(19(21)22)4-2-3-13-23-16-11-7-15(20)8-12-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)/t18-/m0/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid |
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 | | W8N | | Name: | 5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid | | Formula: | C14 H17 Br O3 | | SMILES: | Cc1ccc(cc1Br)C(=O)CC(C)(C)CC(=O)O | | InChi: | InChI=1S/C14H17BrO3/c1-9-4-5-10(6-11(9)15)12(16)7-14(2,3)8-13(17)18/h4-6H,7-8H2,1-3H3,(H,17,18) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid |
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 | | W8T | | Name: | (2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid | | Formula: | C18 H19 N O3 | | SMILES: | O=C(O)C1CCN(c2ccccc2)C1COc1ccccc1 | | InChi: | InChI=1S/C18H19NO3/c20-18(21)16-11-12-19(14-7-3-1-4-8-14)17(16)13-22-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17-/m0/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid |
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 | | W90 | | Name: | 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid | | Formula: | C13 H15 Cl2 N O3 | | SMILES: | Clc1cc(NC(=O)CC(C)(C)CC(=O)O)cc(Cl)c1 | | InChi: | InChI=1S/C13H15Cl2NO3/c1-13(2,7-12(18)19)6-11(17)16-10-4-8(14)3-9(15)5-10/h3-5H,6-7H2,1-2H3,(H,16,17)(H,18,19) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid |
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 | | W95 | | Name: | (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid | | Formula: | C15 H24 O4 | | SMILES: | O=C(OC1CC(C)CCC1C(C)C)C1CC1C(=O)O | | InChi: | InChI=1S/C15H24O4/c1-8(2)10-5-4-9(3)6-13(10)19-15(18)12-7-11(12)14(16)17/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12+,13-/m1/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1S,2S)-2-({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)cyclopropane-1-carboxylic acid |
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 | | W9B | | Name: | (2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid | | Formula: | C17 H23 F3 O4 | | SMILES: | OC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)(C(=O)O)C(F)(F)F | | InChi: | InChI=1S/C17H23F3O4/c1-14(2,3)9-7-10(15(4,5)6)12(21)11(8-9)16(24,13(22)23)17(18,19)20/h7-8,21,24H,1-6H3,(H,22,23)/t16-/m1/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid |
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 | | KUL | | Name: | 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione | | Formula: | C11 H10 F N O4 S | | SMILES: | C[S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O | | InChi: | InChI=1S/C11H10FNO4S/c1-18(16,17)7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3 | | Synonyms: | 1-(2-Fluoro-5-methylsulfonylphenyl)pyrrole-2,5-dione (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione |
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 | | W9F | | Name: | 5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione | | Formula: | C11 H8 Cl2 N2 O2 S | | SMILES: | CC1(C(=O)NC(=S)NC1=O)c1ccc(Cl)c(Cl)c1 | | InChi: | InChI=1S/C11H8Cl2N2O2S/c1-11(5-2-3-6(12)7(13)4-5)8(16)14-10(18)15-9(11)17/h2-4H,1H3,(H2,14,15,16,17,18) | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
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 | | W9K | | Name: | (5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione | | Formula: | C13 H11 N O3 S2 | | SMILES: | Oc1ccc(cc1)C1=CC2(CCS1)SC(=O)NC2=O | | InChi: | InChI=1S/C13H11NO3S2/c15-9-3-1-8(2-4-9)10-7-13(5-6-18-10)11(16)14-12(17)19-13/h1-4,7,15H,5-6H2,(H,14,16,17)/t13-/m1/s1 | | Definition date: | 2023-05-09 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione |
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 | | KUS | | Name: | (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide | | Formula: | C10 H8 Cl N O2 | | SMILES: | Clc1ccc(NC(=O)C=CC=O)cc1 | | InChi: | InChI=1S/C10H8ClNO2/c11-8-3-5-9(6-4-8)12-10(14)2-1-7-13/h1-7H,(H,12,14)/b2-1- | | Synonyms: | N1-(4-chlorophenyl)-2-butenediamide (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (~{Z})-~{N}-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide |
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 | | KW2 | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol | | Formula: | C24 H34 N2 O4 | | SMILES: | C[CH]1[CH](C[CH]2C[CH]1C2(C)C)NCc3cn([CH]4OC[CH](O)[CH](O)[CH]4O)c5ccccc35 | | InChi: | InChI=1S/C24H34N2O4/c1-13-17-8-15(24(17,2)3)9-18(13)25-10-14-11-26(19-7-5-4-6-16(14)19)23-22(29)21(28)20(27)12-30-23/h4-7,11,13,15,17-18,20-23,25,27-29H,8-10,12H2,1-3H3/t13-,15+,17-,18-,20-,21+,22-,23-/m1/s1 | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol |
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 | | KW6 | | Name: | (2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol | | Formula: | C22 H19 N5 O4 | | SMILES: | Nc1ncnc2n(cc(C#Cc3cnc4ccccc4c3)c12)[CH]5O[CH](CO)[CH](O)[CH]5O | | InChi: | InChI=1S/C22H19N5O4/c23-20-17-14(6-5-12-7-13-3-1-2-4-15(13)24-8-12)9-27(21(17)26-11-25-20)22-19(30)18(29)16(10-28)31-22/h1-4,7-9,11,16,18-19,22,28-30H,10H2,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1 | | Definition date: | 2022-06-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
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 | | KWX | | Name: | (1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid | | Formula: | C14 H15 Cl F N O3 | | SMILES: | OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(Cl)c1 | | InChi: | InChI=1S/C14H15ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/t9-,10+/m0/s1 | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid |
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 | | L8T | | Name: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid | | Formula: | C18 H21 N O5 S | | SMILES: | O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C(=O)OCC | | InChi: | InChI=1S/C18H21NO5S/c1-2-24-18(23)14-12-6-3-4-9-13(12)25-16(14)19-15(20)10-7-5-8-11(10)17(21)22/h2-9H2,1H3,(H,19,20)(H,21,22) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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 | | K0U | | Name: | (2R)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid | | Formula: | C11 H11 Cl3 O2 S | | SMILES: | Clc1cc(SC(C(=O)O)C(C)C)c(Cl)cc1Cl | | InChi: | InChI=1S/C11H11Cl3O2S/c1-5(2)10(11(15)16)17-9-4-7(13)6(12)3-8(9)14/h3-5,10H,1-2H3,(H,15,16)/t10-/m1/s1 | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (2R)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid |
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 | | LE0 | | Name: | {[3-(trifluoromethyl)phenyl]methyl}propanedioic acid | | Formula: | C11 H9 F3 O4 | | SMILES: | FC(F)(F)c1cccc(CC(C(=O)O)C(=O)O)c1 | | InChi: | InChI=1S/C11H9F3O4/c12-11(13,14)7-3-1-2-6(4-7)5-8(9(15)16)10(17)18/h1-4,8H,5H2,(H,15,16)(H,17,18) | | Definition date: | 2022-03-03 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | {[3-(trifluoromethyl)phenyl]methyl}propanedioic acid |
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 | | LE5 | | Name: | (8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C18 H14 Cl N5 O | | SMILES: | Clc1ccc(cc1)NCC1=CC(=O)n2nc(nc2N1)c1ccccc1 | | InChi: | InChI=1S/C18H14ClN5O/c19-13-6-8-14(9-7-13)20-11-15-10-16(25)24-18(21-15)22-17(23-24)12-4-2-1-3-5-12/h1-10,20H,11H2,(H,21,22,23) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | K4I | | Name: | (9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one | | Formula: | C23 H27 F N4 O3 | | SMILES: | CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCC[CH](O)C5=N1 | | InChi: | InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/t19-/m1/s1 | | Definition date: | 2022-09-07 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one |
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 | | K7C | | Name: | (5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine | | Formula: | C25 H30 F N5 O | | SMILES: | Fc1ccc(cc1)c1c(c(nc(C2CCCC2)c1C)C1(COC)CCCC1)c1nnn[NH]1 | | InChi: | InChI=1S/C25H30FN5O/c1-16-20(17-9-11-19(26)12-10-17)21(24-28-30-31-29-24)23(25(15-32-2)13-5-6-14-25)27-22(16)18-7-3-4-8-18/h9-12,18H,3-8,13-15H2,1-2H3,(H,28,29,30,31) | | Definition date: | 2023-05-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | (5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine |
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 | | 87B | | Name: | N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | | Formula: | C17 H17 N3 O2 S | | SMILES: | O=[S](=O)(Nc1ccc2[nH]c(nc2c1)C3CCC3)c4ccccc4 | | InChi: | InChI=1S/C17H17N3O2S/c21-23(22,14-7-2-1-3-8-14)20-13-9-10-15-16(11-13)19-17(18-15)12-5-4-6-12/h1-3,7-12,20H,4-6H2,(H,18,19) | | Definition date: | 2021-10-05 | | Last modified: | 2023-06-09 | | Release date: | 2023-06-14 | | Identifier: | ~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)benzenesulfonamide |
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