 | | LBJ | | Name: | 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole | | Formula: | C12 H14 N2 O | | SMILES: | COc1ccc2[nH]c3CNCCc3c2c1 | | InChi: | InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3 | | Definition date: | 2022-06-29 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 6-methoxy-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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 | | 9ZR | | Name: | [(2~{R})-2-[(~{Z})-hexadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-docos-13-enoate | | Formula: | C46 H89 N O8 P | | SMILES: | C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC/C=CCCCCCCCC)OC(=O)CCCCCCC/C=CCCCCCC | | InChi: | InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h17,19-21,44H,6-16,18,22-43H2,1-5H3/p+1/b19-17-,21-20-/t44-/m1/s1 | | Definition date: | 2023-04-20 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | (4R,7R,22Z)-7-{[(9Z)-hexadec-9-enoyl]oxy}-4-hydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphahentriacont-22-en-1-aminium |
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 | | F96 | | Name: | 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one | | Formula: | C21 H22 F N3 O2 | | SMILES: | O[CH]1CCCN[CH]1CC(=O)Cn2cnc3ccc(cc23)c4cccc(F)c4 | | InChi: | InChI=1S/C21H22FN3O2/c22-16-4-1-3-14(9-16)15-6-7-18-20(10-15)25(13-24-18)12-17(26)11-19-21(27)5-2-8-23-19/h1,3-4,6-7,9-10,13,19,21,23,27H,2,5,8,11-12H2/t19-,21+/m1/s1 | | Definition date: | 2020-04-20 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one |
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 | | F99 | | Name: | 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one | | Formula: | C16 H20 Cl N3 O2 | | SMILES: | Cc1c(Cl)ccc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12 | | InChi: | InChI=1S/C16H20ClN3O2/c1-10-12(17)4-5-14-16(10)19-9-20(14)8-11(21)7-13-15(22)3-2-6-18-13/h4-5,9,13,15,18,22H,2-3,6-8H2,1H3/t13-,15+/m1/s1 | | Definition date: | 2020-04-20 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one |
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 | | F9C | | Name: | 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one | | Formula: | C15 H19 Br N4 O2 | | SMILES: | Cc1c(Br)cnc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12 | | InChi: | InChI=1S/C15H19BrN4O2/c1-9-11(16)6-18-15-14(9)19-8-20(15)7-10(21)5-12-13(22)3-2-4-17-12/h6,8,12-13,17,22H,2-5,7H2,1H3/t12-,13+/m1/s1 | | Definition date: | 2020-04-20 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one |
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 | | F9O | | Name: | (2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol | | Formula: | C15 H19 Cl2 N3 O | | SMILES: | O[CH]1CCCN[CH]1CCCn2cnc3c(Cl)c(Cl)ccc23 | | InChi: | InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1 | | Definition date: | 2020-04-20 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | (2~{R},3~{S})-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol |
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 | | GH6 | | Name: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid | | Formula: | C19 H14 Cl2 N2 O3 | | SMILES: | OC(=O)c1cccnc1Nc2c(Cl)ccc(OCc3ccccc3)c2Cl | | InChi: | InChI=1S/C19H14Cl2N2O3/c20-14-8-9-15(26-11-12-5-2-1-3-6-12)16(21)17(14)23-18-13(19(24)25)7-4-10-22-18/h1-10H,11H2,(H,22,23)(H,24,25) | | Definition date: | 2022-05-08 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid |
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 | | IC4 | | Name: | 13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine | | Formula: | C11 H13 Cu N3 O2 S | | SMILES: | COc1cccc2C=[N+]3N=C(S[Cu-]3Oc12)N(C)C | | InChi: | InChI=1S/C11H15N3O2S.Cu/c1-14(2)11(17)13-12-7-8-5-4-6-9(16-3)10(8)15 | | Definition date: | 2022-06-25 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 |
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 | | IKL | | Name: | 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide | | Formula: | C20 H22 N4 O2 | | SMILES: | Cc1cc(C)n(n1)c2ccc(CC(=O)Nc3noc4CCCCc34)cc2 | | InChi: | InChI=1S/C20H22N4O2/c1-13-11-14(2)24(22-13)16-9-7-15(8-10-16)12-19(25)21-20-17-5-3-4-6-18(17)26-23-20/h7-11H,3-6,12H2,1-2H3,(H,21,23,25) | | Definition date: | 2022-03-29 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide |
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 | | JGX | | Name: | Tamsulosin | | Formula: | C20 H28 N2 O5 S | | SMILES: | CCOc1ccccc1OCCN[CH](C)Cc2ccc(OC)c(c2)[S](N)(=O)=O | | InChi: | InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 | | Definition date: | 2022-08-10 | | Last modified: | 2023-06-30 | | Release date: | 2023-07-05 | | Identifier: | 5-[(2~{R})-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide |
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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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | YJN | | Name: | N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide | | Formula: | C21 H16 N2 O4 | | SMILES: | OC=1C(=O)C=C(C)OC=1C(=O)NCc1ccc(cc1)c1ccccc1C#N | | InChi: | InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-14-6-8-15(9-7-14)17-5-3-2-4-16(17)11-22/h2-10,25H,12H2,1H3,(H,23,26) | | Definition date: | 2023-02-08 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide |
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 | | YJR | | Name: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide | | Formula: | C24 H18 F2 N4 O2 | | SMILES: | Fc1cc(cc(F)c1CNC(=O)C1=NN(c2cnccc2)C(C)=CC1=O)c1ccccc1 | | InChi: | InChI=1S/C24H18F2N4O2/c1-15-10-22(31)23(29-30(15)18-8-5-9-27-13-18)24(32)28-14-19-20(25)11-17(12-21(19)26)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,28,32) | | Definition date: | 2023-02-08 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide |
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 | | UH0 | | Name: | ~{N}-[[(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]methyl]-2-[methyl-[(2~{R},3~{R},4~{S},6~{R})-6-methyl-2,3-bis(oxidanyl)oxan-4-yl]amino]ethanamide | | Formula: | C26 H31 F N8 O6 | | SMILES: | OC1C(CC(C)OC1O)N(C)CC(=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c(F)c2)C(=O)O1 | | InChi: | InChI=1S/C26H31FN8O6/c1-14-8-21(23(37)25(38)40-14)33(2)13-22(36)29-11-17-12-35(26(39)41-17)16-5-6-18(19(27)9-16)15-4-7-20(28-10-15)24-30-32-34(3)31-24/h4-7,9-10,14,17,21,23,25,37-38H,8,11-13H2,1-3H3,(H,29,36)/t14-,17+,21+,23-,25-/m1/s1 | | Definition date: | 2022-08-18 | | Last modified: | 2023-06-23 | | Release date: | 2023-06-28 | | Identifier: | 2-{[(2R,3R,4S,6R)-2,3-dihydroxy-6-methyloxan-4-yl](methyl)amino}-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 (non-preferred name) |
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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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