 | YGK | Name: | Monoepoxidized farnesyl acetate | Formula: | C17 H28 O3 | SMILES: | CC(=O)OCC=C(C)CCC=C(C)CC[CH]1OC1(C)C | InChi: | InChI=1S/C17H28O3/c1-13(9-10-16-17(4,5)20-16)7-6-8-14(2)11-12-19-15(3)18/h7,11,16H,6,8-10,12H2,1-5H3/b13-7+,14-11+/t16-/m1/s1 | Synonyms: | [(2~{E},6~{E})-9-[(2~{R})-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate | Definition date: | 2023-12-04 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | [(2~{E},6~{E})-9-[(2~{R})-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate |
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 | A1AZQ | Name: | N-(2-phenylethyl)glycine | Formula: | C10 H13 N O2 | SMILES: | O=C(O)CNCCc1ccccc1 | InChi: | InChI=1S/C10H13NO2/c12-10(13)8-11-7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13) | Definition date: | 2024-07-24 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | N-(2-phenylethyl)glycine |
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 | WLZ | Name: | (4~{S},7~{R},9~{S},10~{S},12~{E})-7-fluoranyl-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione | Formula: | C18 H21 F O7 | SMILES: | C[CH]1CC[CH](F)C(=O)[CH](O)[CH](O)CC=Cc2cc(O)cc(O)c2C(=O)O1 | InChi: | InChI=1S/C18H21FO7/c1-9-5-6-12(19)16(23)17(24)13(21)4-2-3-10-7-11(20)8-14(22)15(10)18(25)26-9/h2-3,7-9,12-13,17,20-22,24H,4-6H2,1H3/t9-,12-,13-,17?/m0/s1 | Definition date: | 2023-10-09 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (4~{S},7~{R},9~{S},10~{S},12~{E})-7-fluoranyl-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione |
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 | WM6 | Name: | (4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione | Formula: | C16 H20 O9 | SMILES: | O[CH]1COc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[CH](O)[CH]1O | InChi: | InChI=1S/C16H20O9/c17-8-5-10(19)13-12(6-8)25-7-11(20)15(22)14(21)9(18)3-1-2-4-24-16(13)23/h5-6,11,14-15,17,19-22H,1-4,7H2/t11-,14+,15+/m1/s1 | Definition date: | 2023-10-09 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (4~{R},5~{S},6~{S})-4,5,6,15,17-pentakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
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 | WMC | Name: | (5~{S},6~{S})-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione | Formula: | C16 H20 O8 | SMILES: | O[CH]1CCOc2cc(O)cc(O)c2C(=O)OCCCCC(=O)[CH]1O | InChi: | InChI=1S/C16H20O8/c17-9-7-12(20)14-13(8-9)23-6-4-11(19)15(21)10(18)3-1-2-5-24-16(14)22/h7-8,11,15,17,19-21H,1-6H2 | Definition date: | 2023-10-09 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (5~{S},6~{S})-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
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 | WMI | Name: | (4~{S},9~{S},10~{S})-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione | Formula: | C18 H24 O7 | SMILES: | C[CH]1CCCC(=O)[CH](O)[CH](O)CCCc2cc(O)cc(O)c2C(=O)O1 | InChi: | InChI=1S/C18H24O7/c1-10-4-2-6-13(20)17(23)14(21)7-3-5-11-8-12(19)9-15(22)16(11)18(24)25-10/h8-10,14,17,19,21-23H,2-7H2,1H3/t10-,14-,17?/m0/s1 | Definition date: | 2023-10-09 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (4~{S},9~{S},10~{S})-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione |
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 | WMN | Name: | (4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione | Formula: | C19 H24 O7 | SMILES: | C[CH]1CCCC(=O)[CH](O)[CH](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1 | InChi: | InChI=1S/C19H24O7/c1-11-5-4-8-15(22)18(24)14(21)7-3-2-6-12-9-13(20)10-16(23)17(12)19(25)26-11/h2,6,9-11,14,18,20-21,23-24H,3-5,7-8H2,1H3/t11-,14?,18?/m0/s1 | Definition date: | 2023-10-09 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione |
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 | WMT | Name: | (5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione | Formula: | C17 H21 F O8 | SMILES: | C[CH]1CC[CH](F)C(=O)[CH](O)[CH](O)CCOc2cc(O)cc(O)c2C(=O)O1 | InChi: | InChI=1S/C17H21FO8/c1-8-2-3-10(18)15(22)16(23)11(20)4-5-25-13-7-9(19)6-12(21)14(13)17(24)26-8/h6-8,10-11,16,19-21,23H,2-5H2,1H3/t8-,10-,11-,16?/m0/s1 | Definition date: | 2023-10-09 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (5~{S},6~{S},8~{R},11~{S})-8-fluoranyl-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione |
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 | WMX | Name: | (4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione | Formula: | C22 H32 O8 | SMILES: | CCOCOc1cc(O)c2C(=O)O[CH](C)CCCC(=O)[CH](O)[CH](O)CCCCc2c1 | InChi: | InChI=1S/C22H32O8/c1-3-28-13-29-16-11-15-8-4-5-9-17(23)21(26)18(24)10-6-7-14(2)30-22(27)20(15)19(25)12-16/h11-12,14,17,21,23,25-26H,3-10,13H2,1-2H3/t14-,17?,21?/m0/s1 | Definition date: | 2023-10-09 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione |
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 | WN2 | Name: | (4~{S},9~{S},10~{S})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione | Formula: | C19 H26 O7 | SMILES: | C[CH]1CCCC(=O)[CH](O)[CH](O)CCCCc2cc(O)cc(O)c2C(=O)O1 | InChi: | InChI=1S/C19H26O7/c1-11-5-4-8-15(22)18(24)14(21)7-3-2-6-12-9-13(20)10-16(23)17(12)19(25)26-11/h9-11,14,18,20-21,23-24H,2-8H2,1H3/t11-,14?,18?/m0/s1 | Definition date: | 2023-10-09 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (4~{S},9~{S},10~{S})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione |
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 | WN8 | Name: | (6~{S},7~{S},12~{S})-12-methyl-6,7,16,18-tetrakis(oxidanyl)-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8,14-dione | Formula: | C18 H24 O8 | SMILES: | C[CH]1CCCC(=O)[CH](O)[CH](O)CCCOc2cc(O)cc(O)c2C(=O)O1 | InChi: | InChI=1S/C18H24O8/c1-10-4-2-5-12(20)17(23)13(21)6-3-7-25-15-9-11(19)8-14(22)16(15)18(24)26-10/h8-10,13,17,19,21-23H,2-7H2,1H3/t10-,13?,17+/m0/s1 | Definition date: | 2023-10-09 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (6~{S},7~{S},12~{S})-12-methyl-6,7,16,18-tetrakis(oxidanyl)-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8,14-dione |
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 | WNC | Name: | (5~{S},6~{S},11~{S})-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione | Formula: | C17 H22 O8 | SMILES: | C[CH]1CCCC(=O)[CH](O)[CH](O)CCOc2cc(O)cc(O)c2C(=O)O1 | InChi: | InChI=1S/C17H22O8/c1-9-3-2-4-11(19)16(22)12(20)5-6-24-14-8-10(18)7-13(21)15(14)17(23)25-9/h7-9,12,16,18,20-22H,2-6H2,1H3/t9-,12-,16-/m0/s1 | Definition date: | 2023-10-09 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (5~{S},6~{S},11~{S})-11-methyl-5,6,15,17-tetrakis(oxidanyl)-2,12-dioxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione |
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 | WQ9 | Name: | 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone | Formula: | C15 H17 Br Cl F N2 O3 S | SMILES: | Fc1cc(ccc1Br)[S](=O)(=O)N2CC[C]3(CCN(C3)C(=O)CCl)C2 | InChi: | InChI=1S/C15H17BrClFN2O3S/c16-12-2-1-11(7-13(12)18)24(22,23)20-6-4-15(10-20)3-5-19(9-15)14(21)8-17/h1-2,7H,3-6,8-10H2/t15-/m1/s1 | Definition date: | 2023-10-10 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | 1-[(5~{R})-2-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,7-diazaspiro[4.4]nonan-7-yl]-2-chloranyl-ethanone |
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 | TJQ | Name: | ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate | Formula: | C20 H24 N2 O5 | SMILES: | CCOC(=O)c1c(C)[nH]c(c1C)C(=O)N(CC)Cc2ccc3OCOc3c2 | InChi: | InChI=1S/C20H24N2O5/c1-5-22(10-14-7-8-15-16(9-14)27-11-26-15)19(23)18-12(3)17(13(4)21-18)20(24)25-6-2/h7-9,21H,5-6,10-11H2,1-4H3 | Definition date: | 2023-01-06 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate |
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 | KBC | Name: | [(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C10 H15 N2 O9 P | SMILES: | CO[C]1(CO[P](O)(O)=O)O[CH](C[CH]1O)N2C=CC(=O)NC2=O | InChi: | InChI=1S/C10H15N2O9P/c1-19-10(5-20-22(16,17)18)6(13)4-8(21-10)12-3-2-7(14)11-9(12)15/h2-3,6,8,13H,4-5H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,8+,10+/m0/s1 | Definition date: | 2022-09-14 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | [(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | A1BUC | Name: | 1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | Formula: | C56 H68 Cl F2 N15 O7 | SMILES: | CNC(=O)COC1=Cc2cc(cc(OC)c2N(C)C1=O)Nc1nc(ncc1Cl)N1CCC(CC1)C(=O)NCCCCC(=O)N1CCC(CC1)n1nc(c2CN(CCc21)C(=O)NC)N1CCCc2cc(c3cn(C)nc3)c(cc21)C(F)F | InChi: | InChI=1S/C56H68ClF2N15O7/c1-60-47(75)32-81-46-25-35-23-37(26-45(80-5)49(35)69(4)54(46)78)65-51-42(57)29-63-55(66-51)71-18-11-33(12-19-71)53(77)62-16-7-6-10-48(76)70-20-13-38(14-21-70)74-43-15-22-72(56(79)61-2)31-41(43)52(67-74)73-17-8-9-34-24-39(36-28-64-68(3)30-36)40(50(58)59)27-44(34)73/h23-30,33,38,50H,6-22,31-32H2,1-5H3,(H,60,75)(H,61,79)(H,62,77)(H,63,65,66) | Definition date: | 2025-01-23 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | 1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
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 | A1D7Q | Name: | 20-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid | Formula: | C31 H56 N2 O10 | SMILES: | OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(O)=O)C(O)=O | InChi: | InChI=1S/C31H56N2O10/c34-27(32-21-22-42-23-24-43-25-30(38)39)20-19-26(31(40)41)33-28(35)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-29(36)37/h26H,1-25H2,(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,40,41)/t26-/m0/s1 | Definition date: | 2024-04-10 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | 20-[[(2~{S})-5-[2-[2-(2-hydroxy-2-oxoethyloxy)ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid |
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 | A1EEY | Name: | 1-(4-chlorophenyl)sulfonyl-3-propyl-urea | Formula: | C10 H13 Cl N2 O3 S | SMILES: | CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1 | InChi: | InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14) | Synonyms: | Chloropropamide | Definition date: | 2024-11-01 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | 1-(4-chlorophenyl)sulfonyl-3-propyl-urea |
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 | A1EGB | Name: | 5-chloranyl-2~{H}-indazole | Formula: | C7 H5 Cl N2 | SMILES: | Clc1ccc2n[nH]cc2c1 | InChi: | InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10) | Definition date: | 2024-11-22 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | 5-chloranyl-2~{H}-indazole |
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 | A1EJU | Name: | 3-azanyl-4-(7-fluoranyl-2H-indazol-4-yl)-8-methoxy-1H-1,5-naphthyridin-2-one | Formula: | C16 H12 F N5 O2 | SMILES: | COc1ccnc2c1NC(=O)C(=C2c3ccc(F)c4n[nH]cc34)N | InChi: | InChI=1S/C16H12FN5O2/c1-24-10-4-5-19-15-11(12(18)16(23)21-14(10)15)7-2-3-9(17)13-8(7)6-20-22-13/h2-6H,18H2,1H3,(H,20,22)(H,21,23) | Definition date: | 2025-01-17 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | 3-azanyl-4-(7-fluoranyl-2~{H}-indazol-4-yl)-8-methoxy-1~{H}-1,5-naphthyridin-2-one |
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 | A1EJV | Name: | 3-azanyl-7-chloranyl-4-(7-fluoranyl-1H-indazol-4-yl)-1H-1,5-naphthyridin-2-one | Formula: | C15 H9 Cl F N5 O | SMILES: | NC1=C(c2ccc(F)c3[nH]ncc23)c4ncc(Cl)cc4NC1=O | InChi: | InChI=1S/C15H9ClFN5O/c16-6-3-10-14(19-4-6)11(12(18)15(23)21-10)7-1-2-9(17)13-8(7)5-20-22-13/h1-5H,18H2,(H,20,22)(H,21,23) | Definition date: | 2025-01-17 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | 3-azanyl-7-chloranyl-4-(7-fluoranyl-1~{H}-indazol-4-yl)-1~{H}-1,5-naphthyridin-2-one |
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 | A1H7Q | Name: | 1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one | Formula: | C13 H17 N O | SMILES: | CCC(=O)N1CCC[CH]1c2ccccc2 | InChi: | InChI=1S/C13H17NO/c1-2-13(15)14-10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m1/s1 | Definition date: | 2024-04-04 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | 1-[(2~{R})-2-phenylpyrrolidin-1-yl]propan-1-one |
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 | A1IAE | Name: | (4-chlorophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone | Formula: | C21 H13 Cl O3 S | SMILES: | Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(Cl)cc4 | InChi: | InChI=1S/C21H13ClO3S/c22-14-5-1-12(2-6-14)20(25)19-17-10-9-16(24)11-18(17)26-21(19)13-3-7-15(23)8-4-13/h1-11,23-24H | Synonyms: | (4-Chlorophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]methanone | Definition date: | 2024-05-07 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | (4-chlorophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone |
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 | A1IAF | Name: | [2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[2-(2-morpholin-4-ylethylamino)phenyl]methanone | Formula: | C27 H26 N2 O4 S | SMILES: | Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccccc4NCCN5CCOCC5 | InChi: | InChI=1S/C27H26N2O4S/c30-19-7-5-18(6-8-19)27-25(22-10-9-20(31)17-24(22)34-27)26(32)21-3-1-2-4-23(21)28-11-12-29-13-15-33-16-14-29/h1-10,17,28,30-31H,11-16H2 | Synonyms: | [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]{2-[(2-morpholinoethyl)amino]phenyl}methanone | Definition date: | 2024-05-07 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 | Identifier: | [2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[2-(2-morpholin-4-ylethylamino)phenyl]methanone |
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 | A1IIU | Name: | (3Z)-7-chloro-10,21-dihydroxy-2,2-dioxo-18-(4-piperidyl)-2-lambda-6,5-dithia-3,12,18-triazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one | Formula: | C24 H27 Cl N4 O5 S2 | SMILES: | Oc1ccc2cc1C(=O)N(CCCCCN3C(=N[S]2(=O)=O)Sc4c(Cl)ccc(O)c34)C5CCNCC5 | InChi: | InChI=1S/C24H27ClN4O5S2/c25-18-5-7-20(31)21-22(18)35-24-27-36(33,34)16-4-6-19(30)17(14-16)23(32)28(15-8-10-26-11-9-15)12-2-1-3-13-29(21)24/h4-7,14-15,26,30-31H,1-3,8-13H2/b27-24- | Synonyms: | 19-chloro-6,16-dihydroxy-2,2,8-trioxo-9-(piperidin-4-yl)-1,8,9,10,11,12,13,14-octahydro-2H-3,7-(metheno)-2-lambda-6-[1,2,4,10]thiatriazacyclohexadecino[3,4-b][1,3]benzothiazol-15-ium | Definition date: | 2024-07-19 | Last modified: | 2025-04-11 | Release date: | 2025-04-16 |
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