| ZXE | 表記: | Ru2(DPhF)(CO3)2(Formate) | 組成式: | C16 H14 N2 O8 Ru2 | SMILES: | O=C1O[Ru]23OCO[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5 | InChi: | InChI=1S/C13H12N2.2CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | 定義日: | 2023-07-07 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 |
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| X08 | 表記: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide | 組成式: | C19 H29 N5 O2 S | SMILES: | Cc1ccc(CNCCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)nc1 | InChi: | InChI=1S/C19H29N5O2S/c1-13-6-7-14(22-10-13)11-20-8-9-21-17(25)5-3-2-4-16-18-15(12-27-16)23-19(26)24-18/h6-7,10,15-16,18,20H,2-5,8-9,11-12H2,1H3,(H,21,25)(H2,23,24,26)/t15-,16-,18-/m0/s1 | 定義日: | 2023-05-26 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide |
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| KLO | 表記: | 5-(phenylmethyl)pyrimidine-2,4-diol | 組成式: | C11 H10 N2 O2 | SMILES: | Oc1ncc(Cc2ccccc2)c(O)n1 | InChi: | InChI=1S/C11H10N2O2/c14-10-9(7-12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15) | 定義日: | 2022-05-30 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 5-(phenylmethyl)pyrimidine-2,4-diol |
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| YWV | 表記: | [Ru2(DPhF)(Formate)] | 組成式: | C14 H14 N2 O2 Ru2 | SMILES: | C1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3 | InChi: | InChI=1S/C13H12N2.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | 定義日: | 2023-06-22 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane |
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| ZJK | 表記: | 1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane | 組成式: | C27 H27 N4 O3 Ru2 | SMILES: | O[Ru]12OCO[Ru](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5)c6ccccc6 | InChi: | InChI=1S/2C13H12N2.CH2O2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | 定義日: | 2023-06-27 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane |
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| ZJO | 表記: | 1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane | 組成式: | C26 H25 N4 O Ru2 | SMILES: | O[Ru]1N(CN([Ru]N(CN1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5 | InChi: | InChI=1S/2C13H12N2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13 | 定義日: | 2023-06-27 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane |
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| UH3 | 表記: | (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide | 組成式: | C14 H12 N4 O2 | SMILES: | Cc1nc[nH]c1C=C2C(=O)Nc3ccc(cc23)C(N)=O | InChi: | InChI=1S/C14H12N4O2/c1-7-12(17-6-16-7)5-10-9-4-8(13(15)19)2-3-11(9)18-14(10)20/h2-6H,1H3,(H2,15,19)(H,16,17)(H,18,20) | 定義日: | 2023-09-05 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide |
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| VPH | 表記: | methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate | 組成式: | C8 H14 O6 | SMILES: | COC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1 | InChi: | InChI=1S/C8H14O6/c1-13-8(12)5-2-4(10)7(11)6(3-9)14-5/h4-7,9-11H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1 | 定義日: | 2023-03-24 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate |
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| VPL | 表記: | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide | 組成式: | C7 H13 N O5 | SMILES: | NC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1 | InChi: | InChI=1S/C7H13NO5/c8-7(12)4-1-3(10)6(11)5(2-9)13-4/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1 | 定義日: | 2023-03-24 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide |
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| VPQ | 表記: | (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide | 組成式: | C7 H13 N O6 | SMILES: | NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6-/m1/s1 | 定義日: | 2023-03-24 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide |
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| U4X | 表記: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol | 組成式: | C26 H33 N O5 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCOCc2cc3ccccc3c4ccccc24 | InChi: | InChI=1S/C26H33NO5/c28-16-23-25(30)26(31)24(29)15-27(23)12-6-1-7-13-32-17-19-14-18-8-2-3-9-20(18)22-11-5-4-10-21(19)22/h2-5,8-11,14,23-26,28-31H,1,6-7,12-13,15-17H2/t23-,24+,25-,26-/m1/s1 | 定義日: | 2023-01-25 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | (2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol |
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| U54 | 表記: | (1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol | 組成式: | C21 H41 N5 O4 | SMILES: | NCCCCc1cn(CCCCCCCCN[CH]2C[CH](O)[CH](O)[CH](O)[CH]2CO)nn1 | InChi: | InChI=1S/C21H41N5O4/c22-10-6-5-9-16-14-26(25-24-16)12-8-4-2-1-3-7-11-23-18-13-19(28)21(30)20(29)17(18)15-27/h14,17-21,23,27-30H,1-13,15,22H2/t17-,18+,19-,20+,21+/m0/s1 | 定義日: | 2023-01-25 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | (1~{S},2~{R},3~{R},4~{R},5~{R})-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol |
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| KZO | 表記: | Astragaloside IV | 組成式: | C41 H68 O14 | SMILES: | CC(C)(O)[CH]1CC[C](C)(O1)[CH]2[CH](O)C[C]3(C)[CH]4C[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]6C(C)(C)[CH](CC[C]67C[C]47CC[C]23C)O[CH]8OC[CH](O)[CH](O)[CH]8O | InChi: | InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33+,34-,37-,38+,39-,40+,41-/m1/s1 | 定義日: | 2022-11-01 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 |
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| L3N | 表記: | 1~{H}-quinazoline-2,4-dione | 組成式: | C8 H6 N2 O2 | SMILES: | O=C1NC(=O)c2ccccc2N1 | InChi: | InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) | 定義日: | 2022-06-15 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 1~{H}-quinazoline-2,4-dione |
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| K9U | 表記: | (2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide | 組成式: | C24 H21 Cl2 F3 N4 O3 | SMILES: | FC(F)(F)CCNC(=O)[CH]1CN(CCN1C(=O)C2=CC(=O)Nc3ccccc23)c4ccc(Cl)c(Cl)c4 | InChi: | InChI=1S/C24H21Cl2F3N4O3/c25-17-6-5-14(11-18(17)26)32-9-10-33(20(13-32)22(35)30-8-7-24(27,28)29)23(36)16-12-21(34)31-19-4-2-1-3-15(16)19/h1-6,11-12,20H,7-10,13H2,(H,30,35)(H,31,34)/t20-/m0/s1 | 定義日: | 2022-09-14 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | (2~{S})-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1~{H}-quinolin-4-yl)carbonyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide |
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| KAE | 表記: | 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one | 組成式: | C25 H26 Cl2 N4 O3 | SMILES: | Clc1ccc(cc1Cl)N2CCN([CH](CN3CCOCC3)C2)C(=O)C4=CC(=O)Nc5ccccc45 | InChi: | InChI=1S/C25H26Cl2N4O3/c26-21-6-5-17(13-22(21)27)30-7-8-31(18(16-30)15-29-9-11-34-12-10-29)25(33)20-14-24(32)28-23-4-2-1-3-19(20)23/h1-6,13-14,18H,7-12,15-16H2,(H,28,32)/t18-/m0/s1 | 定義日: | 2022-09-14 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one |
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| MJ3 | 表記: | (2~{S},3~{S},4~{R},5~{S},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid | 組成式: | C19 H28 N4 O18 P2 | SMILES: | O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(C(O)C(NC(C)=O)C2NC(C)=O)C(=O)O)C(O)C1O | InChi: | InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11+,12-,13+,14-,15+,16-,18-/m1/s1 | 別名: | UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronic acid | 定義日: | 2023-05-25 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | (2S,3S,4R,5S,6R)-4,5-diacetamido-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxyoxane-2-carboxylic acid (non-preferred name) |
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| MJL | 表記: | (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid | 組成式: | C19 H28 N4 O18 P2 | SMILES: | O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(C(O)C(NC(C)=O)C2NC(C)=O)C(=O)O)C(O)C1O | InChi: | InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)18(39-15(13(10)28)17(30)31)40-43(35,36)41-42(33,34)37-5-8-12(27)14(29)16(38-8)23-4-3-9(26)22-19(23)32/h3-4,8,10-16,18,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t8-,10-,11-,12-,13+,14-,15+,16-,18-/m1/s1 | 別名: | UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronate | 定義日: | 2023-05-26 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | (2S,3S,4R,5R,6R)-4,5-diacetamido-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxyoxane-2-carboxylic acid (non-preferred name) |
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| 7U5 | 表記: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide | 組成式: | C32 H28 N6 O2 | SMILES: | CCNC(=O)[CH](Cc1ccc(cc1)C#Cc2ccc3nccnc3c2)NC(=O)c4ccc5nc(C)c(C)nc5c4 | InChi: | InChI=1S/C32H28N6O2/c1-4-33-32(40)30(38-31(39)25-12-14-27-29(19-25)37-21(3)20(2)36-27)18-23-8-5-22(6-9-23)7-10-24-11-13-26-28(17-24)35-16-15-34-26/h5-6,8-9,11-17,19,30H,4,18H2,1-3H3,(H,33,40)(H,38,39)/t30-/m1/s1 | 定義日: | 2023-03-10 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | ~{N}-[(2~{R})-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide |
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| 0VI | 表記: | 7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine | 組成式: | C23 H27 Br F6 N5 O2 | SMILES: | COc1cc(Br)cc(OC)c1[CH]2C(=N[n]3c2nc(C)nc3N(CCCC(F)(F)F)CCCC(F)(F)F)C | InChi: | InChI=1S/C23H27BrF6N5O2/c1-13-18(19-16(36-3)11-15(24)12-17(19)37-4)20-31-14(2)32-21(35(20)33-13)34(9-5-7-22(25,26)27)10-6-8-23(28,29)30/h11-12,18H,5-10H2,1-4H3/t18-/m0/s1 | 定義日: | 2021-06-16 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine |
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| OKL | 表記: | 8-chloranyl-3-pentyl-7H-purine-2,6-dione | 組成式: | C10 H13 Cl N4 O2 | SMILES: | CCCCCN1C(=O)NC(=O)c2[nH]c(Cl)nc12 | InChi: | InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17) | 定義日: | 2023-02-07 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 8-chloranyl-3-pentyl-7~{H}-purine-2,6-dione |
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| QV3 | 表記: | 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide | 組成式: | C26 H21 Cl F4 N6 O4 | SMILES: | CC[CH](N1C=C(OC)C(=CC1=O)c2cc(Cl)ccc2n3cc(nn3)C(F)(F)F)C(=O)Nc4ccc(C(N)=O)c(F)c4 | InChi: | InChI=1S/C26H21ClF4N6O4/c1-3-19(25(40)33-14-5-6-15(24(32)39)18(28)9-14)36-11-21(41-2)17(10-23(36)38)16-8-13(27)4-7-20(16)37-12-22(34-35-37)26(29,30)31/h4-12,19H,3H2,1-2H3,(H2,32,39)(H,33,40)/t19-/m0/s1 | 別名: | Asundexian | 定義日: | 2022-11-15 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide |
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| QVI | 表記: | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide | 組成式: | C24 H29 N7 O2 | SMILES: | NC[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)C(=O)Nc3ccc(cc3)c4[nH]nnn4 | InChi: | InChI=1S/C24H29N7O2/c25-15-17-6-8-19(9-7-17)23(32)27-21(14-16-4-2-1-3-5-16)24(33)26-20-12-10-18(11-13-20)22-28-30-31-29-22/h1-5,10-13,17,19,21H,6-9,14-15,25H2,(H,26,33)(H,27,32)(H,28,29,30,31)/t17-,19-,21-/m0/s1 | 定義日: | 2022-11-15 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide |
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| QVO | 表記: | 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide | 組成式: | C22 H14 Cl N7 O3 | SMILES: | Clc1cccc(c1)C2=CC(=O)N(CC(=O)Nc3ccc(cc3)c4[nH]nnn4)C5=C2C(=O)N=C5 | InChi: | InChI=1S/C22H14ClN7O3/c23-14-3-1-2-13(8-14)16-9-19(32)30(17-10-24-22(33)20(16)17)11-18(31)25-15-6-4-12(5-7-15)21-26-28-29-27-21/h1-10H,11H2,(H,25,31)(H,26,27,28,29) | 定義日: | 2022-11-15 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide |
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| QW0 | 表記: | (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide | 組成式: | C21 H16 Cl2 N10 O | SMILES: | Nc1n[nH]c2cc(ccc12)c3[nH]c(CNC(=O)C=Cc4cc(Cl)ccc4n5cnnn5)nc3Cl | InChi: | InChI=1S/C21H16Cl2N10O/c22-13-3-5-16(33-10-26-31-32-33)11(7-13)2-6-18(34)25-9-17-27-19(20(23)28-17)12-1-4-14-15(8-12)29-30-21(14)24/h1-8,10H,9H2,(H,25,34)(H,27,28)(H3,24,29,30)/b6-2+ | 定義日: | 2022-11-15 | 最終更新日: | 2023-09-08 | 公開日: | 2023-09-13 | 識別子(ID): | (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide |
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