 | | Y5J | | Name: | 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C15 H11 Cl N4 O3 | | SMILES: | c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)occ4 | | InChi: | InChI=1S/C15H11ClN4O3/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21) | | Definition date: | 2020-05-20 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
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 | | Y5L | | Name: | 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C16 H15 Cl N4 O2 | | SMILES: | c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)CCC4 | | InChi: | InChI=1S/C16H15ClN4O2/c1-23-9-5-6-13-12(7-9)18-14(22)8-21(13)15-10-3-2-4-11(10)19-16(17)20-15/h5-7H,2-4,8H2,1H3,(H,18,22) | | Definition date: | 2020-05-20 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
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 | | Y5M | | Name: | 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C17 H18 N4 O2 | | SMILES: | Cc1nc4c(c(n1)N3c2ccc(cc2NC(C3)=O)OC)CCC4 | | InChi: | InChI=1S/C17H18N4O2/c1-10-18-13-5-3-4-12(13)17(19-10)21-9-16(22)20-14-8-11(23-2)6-7-15(14)21/h6-8H,3-5,9H2,1-2H3,(H,20,22) | | Definition date: | 2020-05-20 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one |
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 | | UJH | | Name: | 1-methoxy-4-oxoquinoline | | Formula: | C10 H9 N O2 | | SMILES: | CON1C=CC(=O)c2ccccc12 | | InChi: | InChI=1S/C10H9NO2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3 | | Synonyms: | 1-methoxyquinolin-4-one | | Definition date: | 2021-02-23 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 1-methoxyquinolin-4-one |
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 | | YHD | | Name: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide | | Formula: | C20 H25 B N2 O3 | | SMILES: | O=C(NC(Cc1ccc(cc1)c1ccccc1)B(O)O)C1CCCN1C | | InChi: | InChI=1S/C20H25BN2O3/c1-23-13-5-8-18(23)20(24)22-19(21(25)26)14-15-9-11-17(12-10-15)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,25-26H,5,8,13-14H2,1H3,(H,22,24)/t18-,19-/m0/s1 | | Definition date: | 2021-03-08 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide |
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 | | 8A5 | | Name: | 4-[(3,4-dimethoxyphenyl)methyl]morpholine | | Formula: | C13 H19 N O3 | | SMILES: | COc1ccc(cc1OC)CN1CCOCC1 | | InChi: | InChI=1S/C13H19NO3/c1-15-12-4-3-11(9-13(12)16-2)10-14-5-7-17-8-6-14/h3-4,9H,5-8,10H2,1-2H3 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 4-[(3,4-dimethoxyphenyl)methyl]morpholine |
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 | | 8B2 | | Name: | (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine | | Formula: | C12 H18 N2 O | | SMILES: | CC(N)c1ccc(cc1)N1CCOCC1 | | InChi: | InChI=1S/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1 | | Definition date: | 2021-09-14 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine |
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 | | Z26 | | Name: | 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C18 H15 Cl N2 O2 | | SMILES: | Clc1cc(CC(=O)Nc2cncc3ccccc32)c(OC)cc1 | | InChi: | InChI=1S/C18H15ClN2O2/c1-23-17-7-6-14(19)8-13(17)9-18(22)21-16-11-20-10-12-4-2-3-5-15(12)16/h2-8,10-11H,9H2,1H3,(H,21,22) | | Definition date: | 2021-09-08 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | VKQ | | Name: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide | | Formula: | C23 H27 N5 O2 | | SMILES: | CCC1=Cc2ccc(CN3CCN(CC3)c4ccc(nc4)C(=O)NC)cc2NC1=O | | InChi: | InChI=1S/C23H27N5O2/c1-3-17-13-18-5-4-16(12-21(18)26-22(17)29)15-27-8-10-28(11-9-27)19-6-7-20(25-14-19)23(30)24-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,24,30)(H,26,29) | | Definition date: | 2021-05-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide |
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 | | VKT | | Name: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one | | Formula: | C21 H27 N5 O | | SMILES: | CCC1=Cc2ccc(CN3CCN(CC3)c4ncc(C)n4C)cc2NC1=O | | InChi: | InChI=1S/C21H27N5O/c1-4-17-12-18-6-5-16(11-19(18)23-20(17)27)14-25-7-9-26(10-8-25)21-22-13-15(2)24(21)3/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,23,27) | | Definition date: | 2021-05-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one |
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 | | VKW | | Name: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one | | Formula: | C20 H25 Cl N6 O | | SMILES: | Cn1c(C)cnc1N2CCN(CCCC3=Nc4c(Cl)cccc4C(=O)N3)CC2 | | InChi: | InChI=1S/C20H25ClN6O/c1-14-13-22-20(25(14)2)27-11-9-26(10-12-27)8-4-7-17-23-18-15(19(28)24-17)5-3-6-16(18)21/h3,5-6,13H,4,7-12H2,1-2H3,(H,23,24,28) | | Definition date: | 2021-05-26 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one |
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 | | TW8 | | Name: | 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde | | Formula: | C15 H14 N2 O3 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCNc3ccccc23 | | InChi: | InChI=1S/C15H14N2O3S/c18-11-12-5-7-13(8-6-12)21(19,20)17-10-9-16-14-3-1-2-4-15(14)17/h1-8,11,16H,9-10H2 | | Definition date: | 2021-01-14 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde |
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 | | TZK | | Name: | 4-(4-methylphenyl)sulfonylmorpholine | | Formula: | C11 H15 N O3 S | | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N2CCOCC2 | | InChi: | InChI=1S/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3 | | Definition date: | 2021-01-14 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 4-(4-methylphenyl)sulfonylmorpholine |
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 | | 860 | | Name: | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H13 Cl N2 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H13ClN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h1-8,10-11H,9H2,(H,20,21) | | Definition date: | 2021-09-08 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | 87H | | Name: | (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide | | Formula: | C18 H15 F N2 O | | SMILES: | Fc1cccc(c1)C(C)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C18H15FN2O/c1-12(13-6-4-7-15(19)9-13)18(22)21-17-11-20-10-14-5-2-3-8-16(14)17/h2-12H,1H3,(H,21,22)/t12-/m1/s1 | | Definition date: | 2021-09-09 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide |
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 | | VOY | | Name: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide | | Formula: | C31 H30 N8 O3 | | SMILES: | CCOc2cc1ncc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(c(cc3)Oc5cc4ncnn4cc5)C)C#N | | InChi: | InChI=1S/C31H30N8O3/c1-5-41-28-16-25-24(15-26(28)37-30(40)7-6-11-38(3)4)31(21(17-32)18-33-25)36-22-8-9-27(20(2)13-22)42-23-10-12-39-29(14-23)34-19-35-39/h6-10,12-16,18-19H,5,11H2,1-4H3,(H,33,36)(H,37,40)/b7-6+ | | Definition date: | 2020-08-31 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide |
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 | | 0GW | | Name: | 5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one | | Formula: | C13 H12 N4 O2 | | SMILES: | CCOc1nc(cc2ccccc12)C=1NC(=O)NN=1 | | InChi: | InChI=1S/C13H12N4O2/c1-2-19-12-9-6-4-3-5-8(9)7-10(14-12)11-15-13(18)17-16-11/h3-7H,2H2,1H3,(H2,15,16,17,18) | | Definition date: | 2021-06-08 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | 5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
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 | | 0CI | | Name: | 5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one | | Formula: | C18 H19 N5 O3 | | SMILES: | CCC(=O)N1CCC(C1)Oc1nc(cc2ccccc12)C=1NC(=O)NN=1 | | InChi: | InChI=1S/C18H19N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h3-6,9,12H,2,7-8,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1 | | Definition date: | 2021-06-07 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | 5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
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 | | UF8 | | Name: | 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | | Formula: | C21 H17 N O3 S2 | | SMILES: | O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5 | | InChi: | InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | | Synonyms: | 2-morpholino-6-(thianthren-1-yl)-4H-pyran-4-one | | Definition date: | 2021-02-12 | | Last modified: | 2021-08-27 | | Release date: | 2021-09-01 | | Identifier: | 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one |
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 | | UGK | | Name: | 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one | | Formula: | C23 H21 F N6 O3 | | SMILES: | COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc4c23)c5cn(C)nc5C | | InChi: | InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3 | | Definition date: | 2021-02-16 | | Last modified: | 2021-08-27 | | Release date: | 2021-09-01 | | Identifier: | 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one |
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 | | ZRY | | Name: | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine | | Formula: | C14 H12 N4 | | SMILES: | N=C1N/C(=NNc2ccccc2)c2ccccc12 | | InChi: | InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18) | | Definition date: | 2021-05-28 | | Last modified: | 2021-08-27 | | Release date: | 2021-09-01 | | Identifier: | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine |
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 | | XSS | | Name: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C37 H44 F6 N6 O9 S | | SMILES: | C46C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC(C)(C)C(F)(F)F)=O)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6 | | InChi: | InChI=1S/C37H44F6N6O9S/c1-33(2,37(41,42)43)58-32(53)46-24-11-9-7-5-6-8-10-20-18-35(20,31(52)48-59(54,55)34(3)14-15-34)47-28(50)26-17-22(19-49(26)30(24)51)57-29-27(36(38,39)40)44-25-16-21(56-4)12-13-23(25)45-29/h8,10,12-13,16,20,22,24,26H,5-7,9,11,14-15,17-19H2,1-4H3,(H,46,53)(H,47,50)(H,48,52)/b10-8-/t20-,22-,24+,26+,35-/m1/s1 | | Synonyms: | NR01-129 | | Definition date: | 2021-01-11 | | Last modified: | 2021-08-27 | | Release date: | 2021-09-01 | | Identifier: | 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | XSV | | Name: | 1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C38 H44 F6 N6 O9 S | | SMILES: | C47C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC5(CCC5)C(F)(F)F)=O)=O)(C(NS(C6(CC6)C)(=O)=O)=O)C7 | | InChi: | InChI=1S/C38H44F6N6O9S/c1-34(15-16-34)60(55,56)49-32(53)36-19-21(36)9-6-4-3-5-7-10-25(47-33(54)59-35(13-8-14-35)38(42,43)44)31(52)50-20-23(18-27(50)29(51)48-36)58-30-28(37(39,40)41)45-26-17-22(57-2)11-12-24(26)46-30/h6,9,11-12,17,21,23,25,27H,3-5,7-8,10,13-16,18-20H2,1-2H3,(H,47,54)(H,48,51)(H,49,53)/b9-6-/t21-,23-,25+,27+,36-/m1/s1 | | Synonyms: | NR02-59 | | Definition date: | 2021-01-12 | | Last modified: | 2021-08-27 | | Release date: | 2021-09-01 | | Identifier: | 1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | XSY | | Name: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C39 H47 F3 N6 O9 S | | SMILES: | C48C(NC(C1N(CC(C1)Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)C(C(CCCCCC=C4)NC(=O)OC5CC6C(C5)C6)=O)=O)(C(NS(C7(CC7)C)(=O)=O)=O)C8 | | InChi: | InChI=1S/C39H47F3N6O9S/c1-37(12-13-37)58(53,54)47-35(51)38-19-23(38)8-6-4-3-5-7-9-28(45-36(52)57-25-15-21-14-22(21)16-25)34(50)48-20-26(18-30(48)32(49)46-38)56-33-31(39(40,41)42)43-29-17-24(55-2)10-11-27(29)44-33/h6,8,10-11,17,21-23,25-26,28,30H,3-5,7,9,12-16,18-20H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b8-6-/t21-,22+,23-,25+,26-,28+,30+,38-/m1/s1 | | Definition date: | 2021-01-12 | | Last modified: | 2021-08-27 | | Release date: | 2021-09-01 | | Identifier: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | XT4 | | Name: | tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C37 H47 F3 N6 O9 S | | SMILES: | C15CC1(NC(C4CC(Oc3nc2c(cc(cc2)OC)nc3C(F)(F)F)CN4C(C(NC(OC(C)(C)C)=O)CCCCCC=C5)=O)=O)C(NS(C6(C)CC6)(=O)=O)=O | | InChi: | InChI=1S/C37H47F3N6O9S/c1-34(2,3)55-33(50)43-25-12-10-8-6-7-9-11-21-19-36(21,32(49)45-56(51,52)35(4)15-16-35)44-29(47)27-18-23(20-46(27)31(25)48)54-30-28(37(38,39)40)41-26-17-22(53-5)13-14-24(26)42-30/h9,11,13-14,17,21,23,25,27H,6-8,10,12,15-16,18-20H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/b11-9-/t21-,23-,25+,27+,36-/m1/s1 | | Definition date: | 2021-01-12 | | Last modified: | 2021-08-27 | | Release date: | 2021-09-01 | | Identifier: | tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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