 | | R3D | | Name: | Ru2-(OH)8 cluster | | Formula: | H8 O8 Ru2 | | SMILES: | O[Ru](O)(O)O.O[Ru](O)(O)O | | InChi: | InChI=1S/8H2O.2Ru/h8*1H2 | | Definition date: | 2022-11-22 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 |
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 | | JSO | | Name: | 2-azanyl-6-methyl-3~{H}-pteridin-4-one | | Formula: | C7 H7 N5 O | | SMILES: | Cc1cnc2N=C(N)NC(=O)c2n1 | | InChi: | InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13) | | Definition date: | 2022-05-09 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 2-azanyl-6-methyl-3~{H}-pteridin-4-one |
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 | | IJP | | Name: | 3,5-dimethoxy-4-oxidanyl-benzoic acid | | Formula: | C9 H10 O5 | | SMILES: | COc1cc(cc(OC)c1O)C(O)=O | | InChi: | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) | | Synonyms: | Syringic acid | | Definition date: | 2022-07-06 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 3,5-dimethoxy-4-oxidanyl-benzoic acid |
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 | | IJV | | Name: | 3,5-dimethoxy-4-oxidanyl-benzaldehyde | | Formula: | C9 H10 O4 | | SMILES: | COc1cc(C=O)cc(OC)c1O | | InChi: | InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3 | | Synonyms: | Syringaldehyde | | Definition date: | 2022-07-06 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 3,5-dimethoxy-4-oxidanyl-benzaldehyde |
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 | | 61I | | Name: | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one | | Formula: | C22 H21 Cl F N3 O2 | | SMILES: | Clc1nccc2CC(Cc21)CN1CC(C1)CNC1=CC(=O)Oc2ccc(F)cc21 | | InChi: | InChI=1S/C22H21ClFN3O2/c23-22-17-6-13(5-15(17)3-4-25-22)10-27-11-14(12-27)9-26-19-8-21(28)29-20-2-1-16(24)7-18(19)20/h1-4,7-8,13-14,26H,5-6,9-12H2 | | Definition date: | 2023-04-19 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one |
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 | | PKK | | Name: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | | Formula: | C17 H12 I2 O4 | | SMILES: | CCc1oc2cc(O)ccc2c1C(=O)c3cc(I)c(O)c(I)c3 | | InChi: | InChI=1S/C17H12I2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3 | | Definition date: | 2023-03-06 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone |
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 | | PKQ | | Name: | [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | | Formula: | C17 H12 Br2 O4 | | SMILES: | CCc1oc2cc(O)ccc2c1C(=O)c3cc(Br)c(O)c(Br)c3 | | InChi: | InChI=1S/C17H12Br2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3 | | Definition date: | 2023-03-06 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone |
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 | | TZ6 | | Name: | 9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane | | Formula: | C17 H18 F2 N2 O4 Ru2 | | SMILES: | CC1O[Ru]23OC(C)O[Ru]2(O1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5 | | InChi: | InChI=1S/C13H10F2N2.2C2H4O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13 | | Definition date: | 2023-01-18 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane |
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 | | U1J | | Name: | 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde | | Formula: | C14 H11 Br N2 O4 | | SMILES: | O=Cc1ncc(Br)cc1OCc1ccc(C)c(c1)[N+]([O-])=O | | InChi: | InChI=1S/C14H11BrN2O4/c1-9-2-3-10(4-13(9)17(19)20)8-21-14-5-11(15)6-16-12(14)7-18/h2-7H,8H2,1H3 | | Definition date: | 2022-08-02 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde |
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 | | U1R | | Name: | 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde | | Formula: | C17 H12 Br N O2 | | SMILES: | O=Cc1ncc(Br)cc1OCc1cc2ccccc2cc1 | | InChi: | InChI=1S/C17H12BrNO2/c18-15-8-17(16(10-20)19-9-15)21-11-12-5-6-13-3-1-2-4-14(13)7-12/h1-10H,11H2 | | Definition date: | 2022-08-02 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde |
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 | | U26 | | Name: | (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione | | Formula: | C19 H14 F N3 O2 | | SMILES: | Fc1ccc(CN2CC(=O)N(C2=O)c2cncc3ccccc32)cc1 | | InChi: | InChI=1S/C19H14FN3O2/c20-15-7-5-13(6-8-15)11-22-12-18(24)23(19(22)25)17-10-21-9-14-3-1-2-4-16(14)17/h1-10H,11-12H2 | | Definition date: | 2022-08-02 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione |
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 | | U2B | | Name: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione | | Formula: | C20 H15 N3 O2 | | SMILES: | O=C1N(C(=O)NC21CCc1ccccc12)c1cncc2ccccc21 | | InChi: | InChI=1S/C20H15N3O2/c24-18-20(10-9-13-5-2-4-8-16(13)20)22-19(25)23(18)17-12-21-11-14-6-1-3-7-15(14)17/h1-8,11-12H,9-10H2,(H,22,25)/t20-/m1/s1 | | Definition date: | 2022-08-02 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione |
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 | | U2I | | Name: | (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide | | Formula: | C20 H19 N3 O2 | | SMILES: | O=C(Nc1cncc2ccccc21)N1Cc2ccccc2OC(C)C1 | | InChi: | InChI=1S/C20H19N3O2/c1-14-12-23(13-16-7-3-5-9-19(16)25-14)20(24)22-18-11-21-10-15-6-2-4-8-17(15)18/h2-11,14H,12-13H2,1H3,(H,22,24)/t14-/m0/s1 | | Definition date: | 2022-08-02 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
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 | | 6I0 | | Name: | 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one | | Formula: | C22 H23 Cl N4 O4 | | SMILES: | O=C1COc2ccc(nc2N1)N1CC(CCNCC2Cc3cccc(Cl)c3C2)OC1=O | | InChi: | InChI=1S/C22H23ClN4O4/c23-17-3-1-2-14-8-13(9-16(14)17)10-24-7-6-15-11-27(22(29)31-15)19-5-4-18-21(25-19)26-20(28)12-30-18/h1-5,13,15,24H,6-12H2,(H,25,26,28) | | Definition date: | 2023-04-19 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one |
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 | | UCR | | Name: | N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[3-(4-{[(3R,4R,5E,10E,12E,14S,16R,23R,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)propyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide | | Formula: | C74 H90 F N13 O16 | | SMILES: | O=C1NCC=CC(C)=CC(O)CC(F)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC(C(C)C)C(C=C1)Cc1cn(nn1)CCCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C2CC(O)CCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C2CCCN2C1=O)c1ccccc1 | | InChi: | InChI=1S/C74H90FN13O16/c1-43(2)65-48(26-27-60(92)76-29-12-17-44(3)35-52(90)38-49(75)39-61-78-54(42-102-61)70(97)87-33-16-24-56(87)73(100)104-65)37-50-41-85(83-82-50)31-14-22-53-69(96)86-32-15-23-55(86)71(98)84(5)58(36-46-18-8-6-9-19-46)72(99)88-34-28-51(89)40-57(88)66(93)81-63(47-20-10-7-11-21-47)74(101)103-45(4)62(67(94)79-53)80-68(95)64-59(91)25-13-30-77-64/h6-13,17-21,25-27,30,35,41-43,45,48-49,51-53,55-58,62-63,65,89-91H,14-16,22-24,28-29,31-34,36-40H2,1-5H3,(H,76,92)(H,79,94)(H,80,95)(H,81,93)/b17-12+,27-26+,44-35+/t45-,48+,49-,51-,52-,53-,55+,56-,57+,58+,62+,63+,65-/m1/s1 | | Definition date: | 2022-08-17 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[3-(4-{[(3R,4R,5E,10E,12E,14S,16R,23R,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)propyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide |
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 | | UCX | | Name: | (3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione | | Formula: | C30 H38 F N3 O6 | | SMILES: | CC(C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC#C | | InChi: | InChI=1S/C30H38FN3O6/c1-5-8-21-11-12-26(36)32-13-6-9-20(4)15-23(35)16-22(31)17-27-33-24(18-39-27)29(37)34-14-7-10-25(34)30(38)40-28(21)19(2)3/h1,6,9,11-12,15,18-19,21-23,25,28,35H,7-8,10,13-14,16-17H2,2-4H3,(H,32,36)/b9-6+,12-11+,20-15+/t21-,22-,23-,25-,28-/m1/s1 | | Definition date: | 2022-08-17 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione |
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 | | UDF | | Name: | ~{N}-[(3~{S},6~{S},12~{R},15~{S},16~{R},19~{S},22~{S},24~{R})-12-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethyl]-4,16-dimethyl-24-oxidanyl-2,5,11,14,18,21-hexakis(oxidanylidene)-19-phenyl-3-(phenylmethyl)-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide | | Formula: | C43 H51 N10 O10 | | SMILES: | C[CH]1OC(=O)[CH](NC(=O)[CH]2C[CH](O)CCN2C(=O)[CH](Cc3ccccc3)N(C)C(=O)[CH]4CCCN4C(=O)[CH](CCN=[N]=N)NC(=O)[CH]1NC(=O)c5ncccc5O)c6ccccc6 | | InChi: | InChI=1S/C43H51N10O10/c1-25-34(48-39(58)36-33(55)16-9-19-45-36)38(57)47-29(17-20-46-50-44)40(59)52-21-10-15-30(52)41(60)51(2)32(23-26-11-5-3-6-12-26)42(61)53-22-18-28(54)24-31(53)37(56)49-35(43(62)63-25)27-13-7-4-8-14-27/h3-9,11-14,16,19,25,28-32,34-35,44,54-55H,10,15,17-18,20-24H2,1-2H3,(H,47,57)(H,48,58)(H,49,56)/t25-,28-,29-,30+,31+,32+,34+,35+/m1/s1 | | Definition date: | 2022-08-17 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | ~{N}-[(3~{S},6~{S},12~{R},15~{S},16~{R},19~{S},22~{S},24~{R})-12-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethyl]-4,16-dimethyl-24-oxidanyl-2,5,11,14,18,21-hexakis(oxidanylidene)-19-phenyl-3-(phenylmethyl)-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide |
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 | | UDU | | Name: | N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[2-(4-{[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)ethyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide | | Formula: | C73 H88 F N13 O16 | | SMILES: | CC1=CC(O)CC(F)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC(C(C)C)C(C=CC(=O)NCC=C1)Cc1cn(nn1)CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C2CC(O)CCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C2CCCN2C1=O)c1ccccc1 | | InChi: | InChI=1S/C73H88FN13O16/c1-42(2)64-47(24-25-59(91)75-28-12-16-43(3)34-51(89)37-48(74)38-60-77-53(41-101-60)69(96)86-31-15-22-55(86)72(99)103-64)36-49-40-84(82-81-49)32-27-52-68(95)85-30-14-21-54(85)70(97)83(5)57(35-45-17-8-6-9-18-45)71(98)87-33-26-50(88)39-56(87)65(92)80-62(46-19-10-7-11-20-46)73(100)102-44(4)61(66(93)78-52)79-67(94)63-58(90)23-13-29-76-63/h6-13,16-20,23-25,29,34,40-42,44,47-48,50-52,54-57,61-62,64,88-90H,14-15,21-22,26-28,30-33,35-39H2,1-5H3,(H,75,91)(H,78,93)(H,79,94)(H,80,92)/b16-12+,25-24+,43-34+/t44-,47+,48-,50-,51-,52-,54+,55-,56+,57+,61+,62+,64-/m1/s1 | | Definition date: | 2022-08-17 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | N-{(4R,6R,9S,10R,13S,15aS,17R,20R,22S,24aS)-22-benzyl-6-[2-(4-{[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]methyl}-1H-1,2,3-triazol-1-yl)ethyl]-17-hydroxy-10,23-dimethyl-5,8,12,15,21,24-hexaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl}-3-hydroxypyridine-2-carboxamide |
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 | | UE6 | | Name: | N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]acetamide | | Formula: | C34 H47 F N8 O7 | | SMILES: | NCc1cn(nn1)CCNC(=O)CC1C=CC(=O)NCC=CC(C)=CC(O)CC(F)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC1C(C)C | | InChi: | InChI=1S/C34H47FN8O7/c1-21(2)32-23(15-30(46)38-11-13-42-19-25(18-36)40-41-42)8-9-29(45)37-10-4-6-22(3)14-26(44)16-24(35)17-31-39-27(20-49-31)33(47)43-12-5-7-28(43)34(48)50-32/h4,6,8-9,14,19-21,23-24,26,28,32,44H,5,7,10-13,15-18,36H2,1-3H3,(H,37,45)(H,38,46)/b6-4+,9-8+,22-14+/t23-,24+,26+,28+,32+/m0/s1 | | Definition date: | 2022-08-17 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]acetamide |
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 | | UEC | | Name: | 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide | | Formula: | C38 H47 F N8 O7 | | SMILES: | CC(C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC(=O)NCCn1cc(nn1)c1ccncc1 | | InChi: | InChI=1S/C38H47FN8O7/c1-24(2)36-27(19-34(50)42-15-17-46-22-30(44-45-46)26-10-13-40-14-11-26)8-9-33(49)41-12-4-6-25(3)18-29(48)20-28(39)21-35-43-31(23-53-35)37(51)47-16-5-7-32(47)38(52)54-36/h4,6,8-11,13-14,18,22-24,27-29,32,36,48H,5,7,12,15-17,19-21H2,1-3H3,(H,41,49)(H,42,50)/b6-4+,9-8+,25-18+/t27-,28+,29+,32+,36+/m0/s1 | | Definition date: | 2022-08-17 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide |
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 | | UI0 | | Name: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate | | Formula: | C40 H46 F N5 O8 | | SMILES: | CC(COC(=O)Nc1cc2ccccc2cn1)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC=C | | InChi: | InChI=1S/C40H46FN5O8/c1-4-9-27-14-15-35(48)42-16-7-10-25(2)18-31(47)20-30(41)21-36-44-32(24-52-36)38(49)46-17-8-13-33(46)39(50)54-37(27)26(3)23-53-40(51)45-34-19-28-11-5-6-12-29(28)22-43-34/h4-7,10-12,14-15,18-19,22,24,26-27,30-31,33,37,47H,1,8-9,13,16-17,20-21,23H2,2-3H3,(H,42,48)(H,43,45,51)/b10-7+,15-14+,25-18+/t26-,27-,30-,31-,33-,37-/m1/s1 | | Definition date: | 2022-08-18 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate |
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 | | UI9 | | Name: | 2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide | | Formula: | C19 H17 Cl F N7 O3 | | SMILES: | O=C(NCC1CN(C(=O)O1)c1ccc(c2ccc(nc2)c2nn(C)nn2)c(F)c1)CCl | | InChi: | InChI=1S/C19H17ClFN7O3/c1-27-25-18(24-26-27)16-5-2-11(8-22-16)14-4-3-12(6-15(14)21)28-10-13(31-19(28)30)9-23-17(29)7-20/h2-6,8,13H,7,9-10H2,1H3,(H,23,29)/t13-/m0/s1 | | Definition date: | 2022-08-18 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide |
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 | | UIF | | Name: | [(2~{S},3~{S},4~{R},6~{R})-4-[[2-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methylamino]-2-oxidanylidene-ethyl]-methyl-amino]-6-methyl-2-(phenylcarbonyloxy)oxan-3-yl] benzoate | | Formula: | C40 H39 F N8 O8 | | SMILES: | O=C(OC1OC(C)CC(C1OC(=O)c1ccccc1)N(C)CC(=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c(F)c2)C(=O)O1)c1ccccc1 | | InChi: | InChI=1S/C40H39FN8O8/c1-24-18-33(35(56-37(51)25-10-6-4-7-11-25)39(54-24)57-38(52)26-12-8-5-9-13-26)47(2)23-34(50)43-21-29-22-49(40(53)55-29)28-15-16-30(31(41)19-28)27-14-17-32(42-20-27)36-44-46-48(3)45-36/h4-17,19-20,24,29,33,35,39H,18,21-23H2,1-3H3,(H,43,50)/t24?,29-,33?,35?,39?/m0/s1 | | Definition date: | 2022-08-18 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 2-(benzoyloxy)-4-{[2-({[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}amino)-2-oxoethyl](methyl)amino}-6-methyloxan-3-yl benzoate (non-preferred name) |
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 | | UK3 | | Name: | (2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide | | Formula: | C101 H135 F N16 O25 S | | SMILES: | CC[CH]1OC(=O)[C](C)(F)C(=O)[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[CH](CCSC)NC(=O)[CH](Cc6ccc(O)cc6)NC(=O)[CH](CCCCN)NC(=O)[CH]7CCCN7C(=O)[CH](CO)NC(=O)[CH](Cc8c[nH]c9ccccc89)NC(=O)CN(CCCCNC(=O)c%10cccc(O)c%10O)C(=O)c%11cccc(O)c%11O)c5)C(=O)O[C]13C)OC | | InChi: | InChI=1S/C101H135FN16O25S/c1-12-80-101(7)87(58(4)82(124)56(2)47-79(139-10)86(59(5)88(128)100(6,102)98(137)141-80)142-97-85(127)76(114(8)9)48-57(3)140-97)118(99(138)143-101)44-20-19-43-116-53-73(112-113-116)61-25-21-26-63(50-61)106-90(130)70(39-46-144-11)108-92(132)71(49-60-35-37-64(120)38-36-60)110-91(131)69(31-15-16-40-103)109-94(134)75-32-24-45-117(75)96(136)74(55-119)111-93(133)72(51-62-52-105-68-30-14-13-27-65(62)68)107-81(123)54-115(95(135)67-29-23-34-78(122)84(67)126)42-18-17-41-104-89(129)66-28-22-33-77(121)83(66)125/h13-14,21-23,25-30,33-38,50,52-53,56-59,69-72,74-76,79-80,85-87,97,105,119-122,125-127H,12,15-20,24,31-32,39-49,51,54-55,103H2,1-11H3,(H,104,129)(H,106,130)(H,107,123)(H,108,132)(H,109,134)(H,110,131)(H,111,133)/t56-,57-,58+,59-,69-,70-,71-,72-,74-,75-,76+,79-,80-,85-,86-,87-,97+,100+,101-/m1/s1 | | Definition date: | 2022-08-19 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide |
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 | | UQL | | Name: | 2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-N,N-dimethyl-ethanamine | | Formula: | C13 H17 Cl N2 | | SMILES: | CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12 | | InChi: | InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3 | | Synonyms: | ST1936 | | Definition date: | 2023-06-15 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-~{N},~{N}-dimethyl-ethanamine |
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