| 0TL | Name: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C11 H16 N5 O8 P | SMILES: | Nc1ncnc2n(cnc12)[C]3(CO)O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C11H16N5O8P/c12-9-6-10(14-3-13-9)16(4-15-6)11(2-17)8(19)7(18)5(24-11)1-23-25(20,21)22/h3-5,7-8,17-19H,1-2H2,(H2,12,13,14)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1 | Definition date: | 2021-06-14 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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| FI5 | Name: | 4-piperidin-4-yloxypyridine-2-carboxamide | Formula: | C11 H15 N3 O2 | SMILES: | NC(=O)c1cc(OC2CCNCC2)ccn1 | InChi: | InChI=1S/C11H15N3O2/c12-11(15)10-7-9(3-6-14-10)16-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H2,12,15) | Definition date: | 2022-01-24 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 4-piperidin-4-yloxypyridine-2-carboxamide |
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| FI9 | Name: | 5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one | Formula: | C11 H15 N3 O2 | SMILES: | NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2 | InChi: | InChI=1S/C11H15N3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8/h1-2,7,9H,3-6,12H2,(H,13,15) | Definition date: | 2022-01-24 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one |
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| FIY | Name: | 2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine | Formula: | C13 H17 N5 O S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2 | InChi: | InChI=1S/C13H17N5OS/c1-4-8-10(7(3)19)6(2)16-11(8)9-5-20-13(17-9)18-12(14)15/h5,16H,4H2,1-3H3,(H4,14,15,17,18) | Definition date: | 2022-01-24 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine |
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| FS6 | Name: | 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone | Formula: | C15 H21 N3 O S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(CCNC)n2 | InChi: | InChI=1S/C15H21N3OS/c1-5-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-7-16-4/h8,16-17H,5-7H2,1-4H3 | Definition date: | 2022-01-25 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone |
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| FWR | Name: | 1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone | Formula: | C15 H21 N3 O S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(CCCN)n2 | InChi: | InChI=1S/C15H21N3OS/c1-4-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-5-7-16/h8,17H,4-7,16H2,1-3H3 | Definition date: | 2022-01-26 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
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| G0I | Name: | 1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone | Formula: | C17 H24 N4 O S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCNCC3)n2 | InChi: | InChI=1S/C17H24N4OS/c1-4-13-16(12(3)22)11(2)19-17(13)14-10-23-15(20-14)9-21-7-5-18-6-8-21/h10,18-19H,4-9H2,1-3H3 | Definition date: | 2022-01-26 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone |
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| G1U | Name: | 1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone | Formula: | C18 H26 N4 O S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(CN3CCC(N)CC3)n2 | InChi: | InChI=1S/C18H26N4OS/c1-4-14-17(12(3)23)11(2)20-18(14)15-10-24-16(21-15)9-22-7-5-13(19)6-8-22/h10,13,20H,4-9,19H2,1-3H3 | Definition date: | 2022-01-26 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 1-[5-[2-[(4-azanylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
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| G2U | Name: | 3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione | Formula: | C15 H16 N4 O3 S | SMILES: | CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3=O)n2 | InChi: | InChI=1S/C15H16N4O3S/c1-7-13(9(3)20)8(2)17-14(7)10-6-23-11(18-10)5-19-12(21)4-16-15(19)22/h6,17H,4-5H2,1-3H3,(H,16,22) | Definition date: | 2022-01-26 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione |
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| GEJ | Name: | (2R)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide | Formula: | C22 H28 N6 O3 S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCc4oncc4 | InChi: | InChI=1S/C22H28N6O3S/c1-4-16-19(14(3)29)13(2)26-20(16)17-12-32-22(27-17)28-10-9-23-11-18(28)21(30)24-7-5-15-6-8-25-31-15/h6,8,12,18,23,26H,4-5,7,9-11H2,1-3H3,(H,24,30)/t18-/m1/s1 | Definition date: | 2022-02-02 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide |
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| GGQ | Name: | 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone | Formula: | C17 H21 F3 N4 O S | SMILES: | CC(=O)c1c(C)[nH]c(c1CCC(F)(F)F)c2csc(n2)N3CCNCC3 | InChi: | InChI=1S/C17H21F3N4OS/c1-10-14(11(2)25)12(3-4-17(18,19)20)15(22-10)13-9-26-16(23-13)24-7-5-21-6-8-24/h9,21-22H,3-8H2,1-2H3 | Definition date: | 2022-02-02 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone |
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| GHL | Name: | (2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide | Formula: | C22 H33 N5 O2 S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCC(C)(C)C | InChi: | InChI=1S/C22H33N5O2S/c1-7-15-18(14(3)28)13(2)25-19(15)16-11-30-21(26-16)27-9-8-23-10-17(27)20(29)24-12-22(4,5)6/h11,17,23,25H,7-10,12H2,1-6H3,(H,24,29)/t17-/m1/s1 | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | (2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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| GI0 | Name: | 3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one | Formula: | C21 H26 N6 O S | SMILES: | Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCN(CC4)Cc5n[nH]cc5C | InChi: | InChI=1S/C21H26N6OS/c1-13-10-22-25-16(13)11-26-6-8-27(9-7-26)21-24-17(12-29-21)20-15-4-3-5-18(28)19(15)14(2)23-20/h10,12,23H,3-9,11H2,1-2H3,(H,22,25) | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one |
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| GI7 | Name: | 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine | Formula: | C13 H19 N5 O | SMILES: | CC(=O)N1CCN(CC1)c2ccc(NC(N)=N)cc2 | InChi: | InChI=1S/C13H19N5O/c1-10(19)17-6-8-18(9-7-17)12-4-2-11(3-5-12)16-13(14)15/h2-5H,6-9H2,1H3,(H4,14,15,16) | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine |
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| GIE | Name: | 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone | Formula: | C16 H22 N4 O S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3 | InChi: | InChI=1S/C16H22N4OS/c1-4-12-14(11(3)21)10(2)18-15(12)13-9-22-16(19-13)20-7-5-17-6-8-20/h9,17-18H,4-8H2,1-3H3 | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
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| GIJ | Name: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide | Formula: | C20 H26 F3 N5 O2 S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCC(F)(F)F | InChi: | InChI=1S/C20H26F3N5O2S/c1-4-13-16(12(3)29)11(2)26-17(13)14-10-31-19(27-14)28-8-7-24-9-15(28)18(30)25-6-5-20(21,22)23/h10,15,24,26H,4-9H2,1-3H3,(H,25,30)/t15-/m1/s1 | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide |
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| GIU | Name: | ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide | Formula: | C13 H15 N3 O2 S | SMILES: | O=[S](=O)(N[CH]1CCNC1)c2cccc3cnccc23 | InChi: | InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m0/s1 | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide |
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| GIZ | Name: | 1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone | Formula: | C24 H37 N5 O S | SMILES: | CCN1CCC(CC1)CN2CCN(CC2)c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC | InChi: | InChI=1S/C24H37N5OS/c1-5-20-22(18(4)30)17(3)25-23(20)21-16-31-24(26-21)29-13-11-28(12-14-29)15-19-7-9-27(6-2)10-8-19/h16,19,25H,5-15H2,1-4H3 | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
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| GJ4 | Name: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide | Formula: | C21 H31 N5 O3 S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCCCO | InChi: | InChI=1S/C21H31N5O3S/c1-4-15-18(14(3)28)13(2)24-19(15)16-12-30-21(25-16)26-9-8-22-11-17(26)20(29)23-7-5-6-10-27/h12,17,22,24,27H,4-11H2,1-3H3,(H,23,29)/t17-/m1/s1 | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide |
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| GJC | Name: | 2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide | Formula: | C21 H28 N8 O2 S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCN(CC3)Cc4cn(CC(N)=O)nn4 | InChi: | InChI=1S/C21H28N8O2S/c1-4-16-19(14(3)30)13(2)23-20(16)17-12-32-21(24-17)28-7-5-27(6-8-28)9-15-10-29(26-25-15)11-18(22)31/h10,12,23H,4-9,11H2,1-3H3,(H2,22,31) | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide |
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| GJI | Name: | 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one | Formula: | C16 H20 N4 O S | SMILES: | Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCNCC4 | InChi: | InChI=1S/C16H20N4OS/c1-10-14-11(3-2-4-13(14)21)15(18-10)12-9-22-16(19-12)20-7-5-17-6-8-20/h9,17-18H,2-8H2,1H3 | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one |
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| GKI | Name: | 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone | Formula: | C19 H28 N4 O S | SMILES: | CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3 | InChi: | InChI=1S/C19H28N4OS/c1-12(2)5-6-15-17(14(4)24)13(3)21-18(15)16-11-25-19(22-16)23-9-7-20-8-10-23/h11-12,20-21H,5-10H2,1-4H3 | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
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| GQF | Name: | 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone | Formula: | C19 H26 N4 O S | SMILES: | CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4CCCC4 | InChi: | InChI=1S/C19H26N4OS/c1-12-16(13(2)24)17(14-5-3-4-6-14)18(21-12)15-11-25-19(22-15)23-9-7-20-8-10-23/h11,14,20-21H,3-10H2,1-2H3 | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
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| GQX | Name: | 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine | Formula: | C13 H15 N5 O S | SMILES: | Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3 | InChi: | InChI=1S/C13H15N5OS/c1-6-10-7(3-2-4-9(10)19)11(16-6)8-5-20-13(17-8)18-12(14)15/h5,16H,2-4H2,1H3,(H4,14,15,17,18) | Definition date: | 2022-02-03 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine |
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| I1A | Name: | dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate | Formula: | C23 H29 N O6 | SMILES: | COC(=O)C(CC=C)(Cc1c(C)n(C(=O)OC(C)(C)C)c2ccccc12)C(=O)OC | InChi: | InChI=1S/C23H29NO6/c1-8-13-23(19(25)28-6,20(26)29-7)14-17-15(2)24(21(27)30-22(3,4)5)18-12-10-9-11-16(17)18/h8-12H,1,13-14H2,2-7H3 | Definition date: | 2022-05-30 | Last modified: | 2022-09-23 | Release date: | 2022-09-28 | Identifier: | dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate |
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