| O2X | 表記: | ~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide | 組成式: | C23 H31 Cl2 N3 O3 | SMILES: | ClCC(=O)N1CCC2(CC1)CC(CNC(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C2 | InChi: | InChI=1S/C23H31Cl2N3O3/c24-15-20(29)28-9-5-22(6-10-28)13-17(14-22)16-26-21(30)23(7-11-31-12-8-23)27-19-3-1-18(25)2-4-19/h1-4,17,27H,5-16H2,(H,26,30) | 定義日: | 2022-08-26 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | ~{N}-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]oxane-4-carboxamide |
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| O3F | 表記: | 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide | 組成式: | C23 H31 Cl2 N3 O3 | SMILES: | ClCC(=O)NCC1CC2(CCN(CC2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1 | InChi: | InChI=1S/C23H31Cl2N3O3/c24-15-20(29)26-16-17-13-22(14-17)5-9-28(10-6-22)21(30)23(7-11-31-12-8-23)27-19-3-1-18(25)2-4-19/h1-4,17,27H,5-16H2,(H,26,29) | 定義日: | 2022-08-26 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]methyl]ethanamide |
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| O3O | 表記: | 2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide | 組成式: | C21 H30 Cl2 N4 O2 | SMILES: | ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C21H30Cl2N4O2/c22-15-19(28)25-10-5-16-6-13-27(14-7-16)20(29)21(8-11-24-12-9-21)26-18-3-1-17(23)2-4-18/h1-4,16,24,26H,5-15H2,(H,25,28) | 定義日: | 2022-08-26 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide |
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| O3T | 表記: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | 組成式: | C21 H26 Cl2 F2 N2 O3 | SMILES: | FC1(F)CCC(CC1)(Oc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl | InChi: | InChI=1S/C21H26Cl2F2N2O3/c22-13-18(28)26-14-15-5-11-27(12-6-15)19(29)20(7-9-21(24,25)10-8-20)30-17-3-1-16(23)2-4-17/h1-4,15H,5-14H2,(H,26,28) | 定義日: | 2022-08-26 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| O49 | 表記: | 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide | 組成式: | C20 H26 Cl2 N2 O4 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Oc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H26Cl2N2O4/c21-13-18(25)23-14-15-5-9-24(10-6-15)19(26)20(7-11-27-12-8-20)28-17-3-1-16(22)2-4-17/h1-4,15H,5-14H2,(H,23,25) | 定義日: | 2022-08-26 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| O4I | 表記: | 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide | 組成式: | C18 H24 Cl2 N2 O3 | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl | InChi: | InChI=1S/C18H24Cl2N2O3/c1-18(2,25-15-5-3-14(20)4-6-15)17(24)22-9-7-13(8-10-22)12-21-16(23)11-19/h3-6,13H,7-12H2,1-2H3,(H,21,23) | 定義日: | 2022-08-26 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide |
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| O5I | 表記: | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide | 組成式: | C20 H27 Cl2 N3 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H27Cl2N3O2/c21-13-18(26)23-14-15-7-11-25(12-8-15)19(27)20(9-1-2-10-20)24-17-5-3-16(22)4-6-17/h3-6,15,24H,1-2,7-14H2,(H,23,26) | 定義日: | 2022-08-30 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| O6L | 表記: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide | 組成式: | C20 H26 Cl2 N2 O3 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccc(Cl)cc3 | InChi: | InChI=1S/C20H26Cl2N2O3/c21-13-18(25)23-14-15-7-11-24(12-8-15)19(26)20(9-1-2-10-20)27-17-5-3-16(22)4-6-17/h3-6,15H,1-2,7-14H2,(H,23,25) | 定義日: | 2022-08-30 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| ODC | 表記: | 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide | 組成式: | C19 H26 Cl2 N2 O3 | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2 | InChi: | InChI=1S/C19H26Cl2N2O3/c1-19(2,26-16-5-3-15(21)4-6-16)18(25)23-11-8-14(9-12-23)7-10-22-17(24)13-20/h3-6,14H,7-13H2,1-2H3,(H,22,24) | 定義日: | 2022-09-05 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide |
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| A0X | 表記: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 組成式: | C35 H32 F3 N7 O3 | SMILES: | Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCCCCNC(=O)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C(F)(F)F | InChi: | InChI=1S/C35H32F3N7O3/c1-22-20-44(21-41-22)28-16-25(35(36,37)38)15-26(17-28)42-33(46)30-18-29-14-24(23(30)2)8-9-27-19-40-32-11-10-31(43-45(27)32)34(47)39-12-6-4-3-5-7-13-48-29/h10-11,14-21H,3-7,12-13H2,1-2H3,(H,39,47)(H,42,46) | 定義日: | 2023-05-10 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 |
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| A4U | 表記: | N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 組成式: | C39 H45 N7 O3 | SMILES: | CN1CCN(CC1)Cc2cc(NC(=O)c3cc4OCCCCCCCNC(=O)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C7CC7 | InChi: | InChI=1S/C39H45N7O3/c1-27-30-10-11-33-25-41-37-13-12-36(43-46(33)37)39(48)40-14-6-4-3-5-7-19-49-34(23-30)24-35(27)38(47)42-32-21-28(20-31(22-32)29-8-9-29)26-45-17-15-44(2)16-18-45/h12-13,20-25,29H,3-9,14-19,26H2,1-2H3,(H,40,48)(H,42,47) | 定義日: | 2023-05-10 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 |
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| A6X | 表記: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 組成式: | C34 H31 F3 N8 O3 | SMILES: | Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCNC(=O)CCNC5=Nn6c(C=C5)ncc6C#Cc(c4)c3C)cc(c2)C(F)(F)F | InChi: | InChI=1S/C34H31F3N8O3/c1-21-19-44(20-41-21)27-15-24(34(35,36)37)14-25(16-27)42-33(47)29-17-28-13-23(22(29)2)5-6-26-18-40-31-8-7-30(43-45(26)31)38-11-9-32(46)39-10-3-4-12-48-28/h7-8,13-20H,3-4,9-12H2,1-2H3,(H,38,43)(H,39,46)(H,42,47) | 定義日: | 2023-05-10 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 |
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| OT0 | 表記: | 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide | 組成式: | C22 H31 Cl2 N3 O3 | SMILES: | C[CH]1C[C](C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl | InChi: | InChI=1S/C22H31Cl2N3O3/c1-15-11-22(12-16(2)30-15,26-19-5-3-18(24)4-6-19)21(29)27-9-7-17(8-10-27)14-25-20(28)13-23/h3-6,15-17,26H,7-14H2,1-2H3,(H,25,28)/t15-,16+,22+ | 別名: | RU78299 | 定義日: | 2022-09-19 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
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| OTO | 表記: | 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile | 組成式: | C11 H8 N4 O | SMILES: | O=C(C1CC1)n2nc(C#N)c3cnccc23 | InChi: | InChI=1S/C11H8N4O/c12-5-9-8-6-13-4-3-10(8)15(14-9)11(16)7-1-2-7/h3-4,6-7H,1-2H2 | 定義日: | 2022-09-20 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile |
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| OU0 | 表記: | 2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one | 組成式: | C10 H13 N O3 | SMILES: | CC(C)C1=CC(=O)ON1C(=O)C2CC2 | InChi: | InChI=1S/C10H13NO3/c1-6(2)8-5-9(12)14-11(8)10(13)7-3-4-7/h5-7H,3-4H2,1-2H3 | 定義日: | 2022-09-20 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one |
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| OV6 | 表記: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(1-methyl-1,2,3-triazol-4-yl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide | 組成式: | C21 H36 N4 O11 | SMILES: | CCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(C)nn3)[CH]2O)[CH](O)[CH]1NC(C)=O | InChi: | InChI=1S/C21H36N4O11/c1-4-5-32-20-14(22-10(2)28)16(30)18(13(8-27)35-20)36-21-17(31)19(15(29)12(7-26)34-21)33-9-11-6-25(3)24-23-11/h6,12-21,26-27,29-31H,4-5,7-9H2,1-3H3,(H,22,28)/t12-,13-,14-,15+,16-,17-,18-,19+,20-,21+/m1/s1 | 定義日: | 2022-09-21 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(1-methyl-1,2,3-triazol-4-yl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide |
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| OVD | 表記: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(1~{H}-1,2,3-triazol-4-ylmethoxy)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide | 組成式: | C20 H34 N4 O11 | SMILES: | CCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3c[nH]nn3)[CH]2O)[CH](O)[CH]1NC(C)=O | InChi: | InChI=1S/C20H34N4O11/c1-3-4-31-19-13(22-9(2)27)15(29)17(12(7-26)34-19)35-20-16(30)18(14(28)11(6-25)33-20)32-8-10-5-21-24-23-10/h5,11-20,25-26,28-30H,3-4,6-8H2,1-2H3,(H,22,27)(H,21,23,24)/t11-,12-,13-,14+,15-,16-,17-,18+,19-,20+/m1/s1 | 定義日: | 2022-09-21 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(1~{H}-1,2,3-triazol-4-ylmethoxy)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide |
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| OW9 | 表記: | 1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile | 組成式: | C16 H11 N3 O | SMILES: | Cc1cccc(c1)C(=O)n2cc(C#N)c3cnccc23 | InChi: | InChI=1S/C16H11N3O/c1-11-3-2-4-12(7-11)16(20)19-10-13(8-17)14-9-18-6-5-15(14)19/h2-7,9-10H,1H3 | 定義日: | 2022-09-22 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile |
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| Q3L | 表記: | (2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid | 組成式: | C17 H31 N4 O7 S | SMILES: | C[CH](O)[CH](N)[CH]1O[CH](Sc2[nH]c(C[CH](C(O)=O)[N+](C)(C)C)cn2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C17H30N4O7S/c1-7(22)10(18)14-12(24)11(23)13(25)16(28-14)29-17-19-6-8(20-17)5-9(15(26)27)21(2,3)4/h6-7,9-14,16,22-25H,5,18H2,1-4H3,(H-,19,20,26,27)/p+1/t7-,9+,10-,11+,12-,13-,14-,16+/m1/s1 | 定義日: | 2023-03-17 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | [(2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium |
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| QBL | 表記: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione | 組成式: | C24 H23 Cl N4 O2 S | SMILES: | Clc1cc(c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c2c(c1)CCCN2C1CNC1 | InChi: | InChI=1S/C24H23ClN4O2S/c25-15-8-14-2-1-7-28(16-11-26-12-16)23(14)19(9-15)18-5-6-27-20-10-17(32-24(18)20)13-29-21(30)3-4-22(29)31/h5-6,8-10,16,26H,1-4,7,11-13H2 | 定義日: | 2022-06-06 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione |
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| 3IV | 表記: | (11E)-hexadec-11-enoic acid | 組成式: | C16 H30 O2 | SMILES: | O=C(O)CCCCCCCCCC=CCCCC | InChi: | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+ | 定義日: | 2021-07-06 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | (11E)-hexadec-11-enoic acid |
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| 3IY | 表記: | [(2~{R})-1-dodecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] (8~{Z},11~{Z},14~{Z},24~{Z},27~{Z})-triaconta-8,11,14,24,27-pentaenoate | 組成式: | C50 H91 N O8 P | SMILES: | C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCC/C=CC/C=CC/C=CCCCCCCCC/C=CC/C=CCC | InChi: | InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-15-13-11-9-7-2/h8,10,14,16,25-26,28-29,31-32,48H,6-7,9,11-13,15,17-24,27,30,33-47H2,1-5H3/p+1/b10-8-,16-14-,26-25-,29-28-,32-31-/t48-/m1/s1 | 定義日: | 2021-07-06 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | (4R,7R,16Z,19Z,22Z,32Z,35Z)-7-[(dodecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphaoctatriaconta-16,19,22,32,35-pentaen-1-aminium |
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| 3LY | 表記: | [(~{Z},2~{R},3~{S})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate | 組成式: | C39 H80 N2 O6 P | SMILES: | C[N+](C)(C)CCOP(O)(=O)OCC(NC(=O)CCCCCCCCCCCCCCC)C(O)/C=CCCCCCCCCCCCCC | InChi: | InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b32-30-/t37-,38+/m1/s1 | 定義日: | 2021-07-06 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | (4S,7R)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphatetracosan-1-aminium |
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| QWR | 表記: | 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine | 組成式: | C25 H27 Br N8 | SMILES: | CC1(C)CCN(CC1)Cc2ccc3nc(Cn4cc(nn4)c5cc(Br)cc6n[nH]cc56)cn3c2 | InChi: | InChI=1S/C25H27BrN8/c1-25(2)5-7-32(8-6-25)12-17-3-4-24-28-19(14-33(24)13-17)15-34-16-23(30-31-34)20-9-18(26)10-22-21(20)11-27-29-22/h3-4,9-11,13-14,16H,5-8,12,15H2,1-2H3,(H,27,29) | 定義日: | 2022-11-15 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine |
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| RQB | 表記: | (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | 組成式: | C17 H19 N3 O2 | SMILES: | Cn1cc(CC2NC(=O)C3CCCN3C2=O)c2ccccc21 | InChi: | InChI=1S/C17H19N3O2/c1-19-10-11(12-5-2-3-6-14(12)19)9-13-17(22)20-8-4-7-15(20)16(21)18-13/h2-3,5-6,10,13,15H,4,7-9H2,1H3,(H,18,21)/t13-,15-/m0/s1 | 定義日: | 2023-08-22 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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