 | | A90 | | Name: | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid | | Formula: | C16 H16 Cl N O4 S | | SMILES: | OC(=O)Cc1ccc(CCN[S](=O)(=O)c2ccc(Cl)cc2)cc1 | | InChi: | InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20) | | Synonyms: | Daltroban | | Definition date: | 2018-10-23 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid |
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 | | A95 | | Name: | N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide | | Formula: | C25 H26 N2 O5 | | SMILES: | COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4occc4)cc3 | | InChi: | InChI=1S/C25H26N2O5/c1-30-21-10-6-19(7-11-21)25(12-15-31-16-13-25)17-26-23(28)18-4-8-20(9-5-18)27-24(29)22-3-2-14-32-22/h2-11,14H,12-13,15-17H2,1H3,(H,26,28)(H,27,29) | | Synonyms: | JW55 Inhibitor | | Definition date: | 2015-08-24 | | Last modified: | 2020-06-17 | | Release date: | 2016-01-13 | | Identifier: | N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide |
|
 | | 71Y | | Name: | ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole
-2-carboxamide | | Formula: | C20 H23 Cl N2 O3 | | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23 | | InChi: | InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m0/s1 | | Synonyms: | I-p300 | | Definition date: | 2016-08-14 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-16 | | Identifier: | ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide |
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 | | 72E | | Name: | 4-(2-methylphenyl)-benzenesulfonamide | | Formula: | C13 H13 N O2 S | | SMILES: | Cc1c(cccc1)c2ccc(S(=O)(=O)N)cc2 | | InChi: | InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16) | | Synonyms: | 2'-methyl[1,1'-biphenyl]-4-sulfonamide | | Definition date: | 2016-08-15 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-21 | | Identifier: | 2'-methyl[1,1'-biphenyl]-4-sulfonamide |
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 | | 72G | | Name: | 4-(3-formylphenyl)-benzenesulfonamide | | Formula: | C13 H11 N O3 S | | SMILES: | O=Cc1cc(ccc1)c2ccc(S(=O)(=O)N)cc2 | | InChi: | InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17) | | Synonyms: | 3'-formyl[1,1'-biphenyl]-4-sulfonamide | | Definition date: | 2016-08-15 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-21 | | Identifier: | 3'-formyl[1,1'-biphenyl]-4-sulfonamide |
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 | | 72H | | Name: | 4-(3-quinolinyl)-benzenesulfonamide | | Formula: | C15 H12 N2 O2 S | | SMILES: | c2c1ccccc1ncc2c3ccc(S(=O)(=O)N)cc3 | | InChi: | InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19) | | Synonyms: | 4-(quinolin-3-yl)benzene-1-sulfonamide | | Definition date: | 2016-08-15 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-21 | | Identifier: | 4-(quinolin-3-yl)benzene-1-sulfonamide |
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 | | AAB | | Name: | 2'-DEOXY-RIBOFURANOSE-5'-MONOPHOSPHATE | | Formula: | C5 H11 O7 P | | SMILES: | O=P(OCC1OC(O)CC1O)(O)O | | InChi: | InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1 | | Synonyms: | ABASIC DEOXYRIBOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose |
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 | | AAD | | Name: | (2-AMINOOXY-ETHYL)-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]-METHYL-SULFONIUM | | Formula: | C13 H21 N6 O4 S | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C[S+](CCON)C)N | | InChi: | InChI=1S/C13H21N6O4S/c1-24(3-2-22-15)4-7-9(20)10(21)13(23-7)19-6-18-8-11(14)16-5-17-12(8)19/h5-7,9-10,13,20-21H,2-4,15H2,1H3,(H2,14,16,17)/q+1/t7-,9+,10+,13+,24?/m0/s1 | | Synonyms: | 5'-[[2-(AMINOOXY)ETHYL]METHYLSULFONIO]-5'-DEOXY-ADENOSINE | | Definition date: | 2002-07-09 | | Last modified: | 2020-06-17 | | Identifier: | [2-(aminooxy)ethyl]{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}methylsulfonium (non-preferred name) |
|
 | | AB8 | | Name: | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3
,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE | | Formula: | C34 H48 N2 O7 | | SMILES: | O=C(OC1C4C(=CC(C)C1)C=CC(C4CCC2OC(=O)N(C(C2)CC(=O)NC)Cc3ccc(O)c(OC)c3)C)C(C)CC | | InChi: | InChI=1S/C34H48N2O7/c1-7-21(3)33(39)43-30-15-20(2)14-24-10-8-22(4)27(32(24)30)12-11-26-17-25(18-31(38)35-5)36(34(40)42-26)19-23-9-13-28(37)29(16-23)41-6/h8-10,13-14,16,20-22,25-27,30,32,37H,7,11-12,15,17-19H2,1-6H3,(H,35,38)/t20-,21-,22-,25+,26+,27-,30-,32-/m0/s1 | | Synonyms: | LFA878 | | Definition date: | 2004-09-07 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,7S,8S,8aR)-8-(2-{(4R,6R)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate |
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 | | ABV | | Name: | 1,3-benzothiazol-2-amine | | Formula: | C7 H6 N2 S | | SMILES: | n1c2ccccc2sc1N | | InChi: | InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9) | | Synonyms: | 2-Aminobenzothiazole | | Definition date: | 2010-04-12 | | Last modified: | 2020-06-17 | | Identifier: | 1,3-benzothiazol-2-amine |
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 | | 74T | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl
{(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p
henylbutan-2-yl}carbamate | | Formula: | C38 H53 N5 O7 S2 | | SMILES: | O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c4ccc5nc(sc5c4)NC7CCN(C6CCCC6)CC7 | | InChi: | InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1 | | Synonyms: | TMC310911 | | Definition date: | 2011-03-22 | | Last modified: | 2020-06-17 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
|
 | | 74X | | Name: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol
an-2-yl]methyl]thiourea | | Formula: | C18 H18 Cl F3 N4 O4 S | | SMILES: | FC(F)(F)c1cc(ccc1Cl)NC(=S)NCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O | | InChi: | InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14-/m0/s1 | | Synonyms: | (THIO)UREA-ALPHA-DEOXYTHYMIDINE DERIVATIVE | | Definition date: | 2012-10-24 | | Last modified: | 2020-06-17 | | Release date: | 2013-07-24 | | Identifier: | 5'-({[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-2',5'-dideoxy-3,4-dihydrothymidine |
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 | | 75D | | Name: | 2,4,6-tri(propan-2-yl)benzenesulfonic acid | | Formula: | C15 H24 O3 S | | SMILES: | O=S(=O)(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C | | InChi: | InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18) | | Synonyms: | 2,4,6-triisopropylbenzenesulfonic acid | | Definition date: | 2013-12-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-19 | | Identifier: | 2,4,6-tri(propan-2-yl)benzenesulfonic acid |
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 | | ACZ | | Name: | CIS-AMICLENOMYCIN | | Formula: | C10 H16 N2 O2 | | SMILES: | O=C(O)C(N)CCC1C=CC(N)C=C1 | | InChi: | InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8?,9-/m0/s1 | | Synonyms: | 2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID | | Definition date: | 2002-09-05 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-amino-4-(trans-4-aminocyclohexa-2,5-dien-1-yl)butanoic acid |
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 | | AD7 | | Name: | octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside | | Formula: | C20 H39 N O8 | | SMILES: | O(CCCCCCCC)C2OC(C(O)C(N)C2OC1OC(C)C(O)C(O)C1)CO | | InChi: | InChI=1S/C20H39NO8/c1-3-4-5-6-7-8-9-26-20-19(16(21)18(25)14(11-22)28-20)29-15-10-13(23)17(24)12(2)27-15/h12-20,22-25H,3-11,21H2,1-2H3/t12-,13-,14+,15-,16-,17+,18-,19+,20+/m0/s1 | | Synonyms: | 2-deoxy-Fuc-3-amino-Gal-H-antigen disaccharide | | Definition date: | 2008-01-04 | | Last modified: | 2020-06-17 | | Identifier: | octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside |
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 | | 75U | | Name: | ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate | | Formula: | C22 H25 Br N2 O3 S | | SMILES: | c1(CN(C)C)c(O)c(cc2c1c(C(OCC)=O)c(n2C)CSc3ccccc3)Br | | InChi: | InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3 | | Synonyms: | Arbidol | | Definition date: | 2016-09-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-04 | | Identifier: | ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate |
|
 | | 766 | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide | | Formula: | C24 H21 F N2 O3 S | | SMILES: | N(CCCCc1sc2c(c1)cncc2)C(c3c(c(cc(c3)c4ccc(cc4)F)O)O)=O | | InChi: | InChI=1S/C24H21FN2O3S/c25-18-6-4-15(5-7-18)16-12-20(23(29)21(28)13-16)24(30)27-9-2-1-3-19-11-17-14-26-10-8-22(17)31-19/h4-8,10-14,28-29H,1-3,9H2,(H,27,30) | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-02 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide |
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 | | 76A | | Name: | 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE | | Formula: | C29 H27 N3 O3 | | SMILES: | O=C(NC1CCC(O)CC1)c2cc6c(cc2)c3c(c(nn3)c5ccc(c4ccc(O)cc4)cc5)C6 | | InChi: | InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24- | | Synonyms: | 3-(4'-HYDROXY-BIPHENYL-4-YL)-1,4-DIHYDRO-INDENO[1,2-C]PYRAZOLE-6-CARBOXYLIC ACID (4-HYDROXY-CYCLOHEXYL)-AMIDE | | Definition date: | 2007-01-31 | | Last modified: | 2020-06-17 | | Identifier: | 3-(4'-hydroxybiphenyl-4-yl)-N-(trans-4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide |
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 | | HJX | | Name: | 2-hydroxy-6-(tetradecyloxy)benzoic acid | | Formula: | C21 H34 O4 | | SMILES: | O=C(O)c1c(O)cccc1OCCCCCCCCCCCCCC | | InChi: | InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-19-16-14-15-18(22)20(19)21(23)24/h14-16,22H,2-13,17H2,1H3,(H,23,24) | | Synonyms: | BPH-981 | | Definition date: | 2011-06-17 | | Last modified: | 2020-06-17 | | Release date: | 2019-02-27 | | Identifier: | 2-hydroxy-6-(tetradecyloxy)benzoic acid |
|
 | | 76D | | Name: | 2,4,6-tri(propan-2-yl)benzoic acid | | Formula: | C16 H24 O2 | | SMILES: | O=C(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C | | InChi: | InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18) | | Synonyms: | 2,4,6-triisopropylbenzoic acid | | Definition date: | 2013-12-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-19 | | Identifier: | 2,4,6-tri(propan-2-yl)benzoic acid |
|
 | | 76T | | Name: | 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[(1H-indazol-5-ylamino)methyl]phenyl]methyl]benzamide | | Formula: | C28 H23 F N4 O3 | | SMILES: | C(NCc3cc(CNc2cc1c(nnc1)cc2)ccc3)(c4c(c(O)cc(c4)c5ccc(cc5)F)O)=O | | InChi: | InChI=1S/C28H23FN4O3/c29-22-6-4-19(5-7-22)20-12-24(27(35)26(34)13-20)28(36)31-15-18-3-1-2-17(10-18)14-30-23-8-9-25-21(11-23)16-32-33-25/h1-13,16,30,34-35H,14-15H2,(H,31,36)(H,32,33) | | Synonyms: | 4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide | | Definition date: | 2016-09-07 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-30 | | Identifier: | 4'-fluoro-4,5-dihydroxy-N-[(3-{[(1H-indazol-5-yl)amino]methyl}phenyl)methyl][1,1'-biphenyl]-3-carboxamide |
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 | | HKG | | Name: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1
-yl}ethan-1-one | | Formula: | C25 H25 N7 O2 S2 | | SMILES: | c4(nc(Nc1ncc(cc1Oc2c(nccc2)C)Sc3ccccn3)sn4)C5CCN(CC5)C(C)=O | | InChi: | InChI=1S/C25H25N7O2S2/c1-16-20(6-5-11-26-16)34-21-14-19(35-22-7-3-4-10-27-22)15-28-24(21)30-25-29-23(31-36-25)18-8-12-32(13-9-18)17(2)33/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,28,29,30,31) | | Synonyms: | AR453588 | | Definition date: | 2018-07-09 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-10 | | Identifier: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1-yl}ethan-1-one |
|
 | | 772 | | Name: | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | | Formula: | C10 H7 N2 O4 P | | SMILES: | O=P(O)(O)Oc1cccc2ccc(C#N)nc12 | | InChi: | InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15) | | Synonyms: | RU79072 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-cyanoquinolin-8-yl dihydrogen phosphate |
|
 | | HKT | | Name: | 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine | | Formula: | C17 H16 F N3 O2 S | | SMILES: | CNCc1cn(c(c1)c2ccccc2F)[S](=O)(=O)c3cccnc3 | | InChi: | InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3 | | Synonyms: | Vonoprazan | | Definition date: | 2017-10-20 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-11 | | Identifier: | 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine |
|
 | | HL4 | | Name: | N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide | | Formula: | C8 H13 N O3 | | SMILES: | O=C1OCCC1NC(=O)CCC | | InChi: | InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1 | | Synonyms: | N-butyryl-L-homoserine lactone | | Definition date: | 2010-09-06 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide |
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