| SYH | 表記: | 2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one | 組成式: | C14 H16 N4 O | SMILES: | C=C1CCN(CC1)C(=O)Cn2nnc3ccccc23 | InChi: | InChI=1S/C14H16N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5H,1,6-10H2 | 別名: | 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethan-1-one | 定義日: | 2020-12-07 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 2-(benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethanone |
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| T0W | 表記: | 2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide | 組成式: | C15 H16 N4 O2 | SMILES: | CCN(Cc1cocc1)C(=O)Cn2nnc3ccccc23 | InChi: | InChI=1S/C15H16N4O2/c1-2-18(9-12-7-8-21-11-12)15(20)10-19-14-6-4-3-5-13(14)16-17-19/h3-8,11H,2,9-10H2,1H3 | 別名: | 2-(1H-1,2,3-benzotriazol-1-yl)-N-ethyl-N-[(furan-3-yl)methyl]acetamide | 定義日: | 2020-12-09 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide |
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| UD8 | 表記: | N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide | 組成式: | C24 H36 N6 O6 S | SMILES: | CC1(C)O[CH]2CN(CCCCCCn3cc(CNC(=O)c4ccc(cc4)[S](N)(=O)=O)nn3)C[CH](O)[CH]2O1 | InChi: | InChI=1S/C24H36N6O6S/c1-24(2)35-21-16-29(15-20(31)22(21)36-24)11-5-3-4-6-12-30-14-18(27-28-30)13-26-23(32)17-7-9-19(10-8-17)37(25,33)34/h7-10,14,20-22,31H,3-6,11-13,15-16H2,1-2H3,(H,26,32)(H2,25,33,34)/t20-,21+,22+/m1/s1 | 別名: | ~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide | 定義日: | 2021-02-10 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | ~{N}-[[1-[6-[(3~{a}~{S},7~{R},7~{a}~{S})-2,2-dimethyl-7-oxidanyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyridin-5-yl]hexyl]-1,2,3-triazol-4-yl]methyl]-4-sulfamoyl-benzamide |
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| 6GI | 表記: | 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine | 組成式: | C26 H23 N7 O3 | SMILES: | NC1=Nc2nc3cc4OCCCOc4cc3n2[CH](N1)c5ccc(OCc6cn7ccccc7n6)cc5 | InChi: | InChI=1S/C26H23N7O3/c27-25-30-24(33-20-13-22-21(34-10-3-11-35-22)12-19(20)29-26(33)31-25)16-5-7-18(8-6-16)36-15-17-14-32-9-2-1-4-23(32)28-17/h1-2,4-9,12-14,24H,3,10-11,15H2,(H3,27,29,30,31)/t24-/m1/s1 | 定義日: | 2022-02-10 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 |
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| UDE | 表記: | 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide | 組成式: | C20 H24 N8 O7 S | SMILES: | CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(CNC(=O)Nc4cccc(c4)[S](N)(=O)=O)nn3)C(=O)NC1=O | InChi: | InChI=1S/C20H24N8O7S/c1-11-8-27(20(32)24-18(11)30)17-6-15(16(10-29)35-17)28-9-13(25-26-28)7-22-19(31)23-12-3-2-4-14(5-12)36(21,33)34/h2-5,8-9,15-17,29H,6-7,10H2,1H3,(H2,21,33,34)(H2,22,23,31)(H,24,30,32)/t15-,16+,17+/m0/s1 | 別名: | 1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea | 定義日: | 2021-02-10 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 1-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-3-(3-sulfamoylphenyl)urea |
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| UE8 | 表記: | 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one | 組成式: | C10 H12 N4 O2 S | SMILES: | O=C1NC(=S)N(C[CH]2CCCO2)c3[nH]cnc13 | InChi: | InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1 | 別名: | 3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one | 定義日: | 2021-02-11 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one |
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| UEB | 表記: | (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | 組成式: | C20 H18 N4 O S | SMILES: | N[CH](c1ccccc1)c2ccccc2CN3C(=S)NC(=O)c4[nH]ccc34 | InChi: | InChI=1S/C20H18N4OS/c21-17(13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-24-16-10-11-22-18(16)19(25)23-20(24)26/h1-11,17,22H,12,21H2,(H,23,25,26)/t17-/m1/s1 | 別名: | 1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one | 定義日: | 2021-02-11 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
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| CT6 | 表記: | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE | 組成式: | C18 H14 Br N5 | SMILES: | Brc4cccc(c1nc3[n+](c(c1)NCc2ccncc2)ncc3)c4 | InChi: | InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11H,12H2,(H,21,22,23)/p+1 | 定義日: | 2005-11-08 | 最終更新日: | 2022-02-18 | 識別子(ID): | 5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-pyrazolo[1,5-a]pyrimidin-8-ium |
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| HWX | 表記: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid | 組成式: | C11 H20 N4 O6 | SMILES: | C[CH](NC(=O)[CH](CCNCC(O)=O)NC(C)=O)C(=O)NO | InChi: | InChI=1S/C11H20N4O6/c1-6(10(19)15-21)13-11(20)8(14-7(2)16)3-4-12-5-9(17)18/h6,8,12,21H,3-5H2,1-2H3,(H,13,20)(H,14,16)(H,15,19)(H,17,18)/t6-,8+/m1/s1 | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid |
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| HX6 | 表記: | N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide | 組成式: | C14 H14 N2 O4 S | SMILES: | N[S](=O)(=O)c1ccc(Cc2ccc(cc2)C(=O)NO)cc1 | InChi: | InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20) | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | ~{N}-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide |
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| HX9 | 表記: | (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid | 組成式: | C14 H24 N4 O7 | SMILES: | C[CH](NC(=O)[CH](CCC[CH](NC(C)=O)C(O)=O)NC(C)=O)C(=O)NO | InChi: | InChI=1S/C14H24N4O7/c1-7(12(21)18-25)15-13(22)10(16-8(2)19)5-4-6-11(14(23)24)17-9(3)20/h7,10-11,25H,4-6H2,1-3H3,(H,15,22)(H,16,19)(H,17,20)(H,18,21)(H,23,24)/t7-,10+,11-/m1/s1 | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid |
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| HXF | 表記: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid | 組成式: | C18 H26 N4 O6 | SMILES: | C[CH](NC(=O)[CH](CCN(CC(O)=O)Cc1ccccc1)NC(C)=O)C(=O)NO | InChi: | InChI=1S/C18H26N4O6/c1-12(17(26)21-28)19-18(27)15(20-13(2)23)8-9-22(11-16(24)25)10-14-6-4-3-5-7-14/h3-7,12,15,28H,8-11H2,1-2H3,(H,19,27)(H,20,23)(H,21,26)(H,24,25)/t12-,15+/m1/s1 | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid |
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| HXO | 表記: | (2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide | 組成式: | C14 H20 N4 O6 S | SMILES: | C[CH](NC(=O)[CH](Cc1ccc(cc1)[S](N)(=O)=O)NC(C)=O)C(=O)NO | InChi: | InChI=1S/C14H20N4O6S/c1-8(13(20)18-22)16-14(21)12(17-9(2)19)7-10-3-5-11(6-4-10)25(15,23)24/h3-6,8,12,22H,7H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)(H2,15,23,24)/t8-,12+/m1/s1 | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | (2~{S})-2-acetamido-~{N}-[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide |
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| HXR | 表記: | N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide | 組成式: | C14 H14 N2 O4 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)c2ccc(CC(=O)NO)cc2 | InChi: | InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20) | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | ~{N}-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide |
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| HY6 | 表記: | N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide | 組成式: | C10 H13 N3 O5 S | SMILES: | N[S](=O)(=O)c1ccc(CC(=O)NCC(=O)NO)cc1 | InChi: | InChI=1S/C10H13N3O5S/c11-19(17,18)8-3-1-7(2-4-8)5-9(14)12-6-10(15)13-16/h1-4,16H,5-6H2,(H,12,14)(H,13,15)(H2,11,17,18) | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | ~{N}-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide |
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| HY9 | 表記: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid | 組成式: | C17 H30 N4 O6 | SMILES: | C[CH](NC(=O)[CH](CCN(CC1CCCC1)CC(O)=O)NC(C)=O)C(=O)NO | InChi: | InChI=1S/C17H30N4O6/c1-11(16(25)20-27)18-17(26)14(19-12(2)22)7-8-21(10-15(23)24)9-13-5-3-4-6-13/h11,13-14,27H,3-10H2,1-2H3,(H,18,26)(H,19,22)(H,20,25)(H,23,24)/t11-,14+/m1/s1 | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid |
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| HYR | 表記: | N-(2-phenoxyethyl)methanethioamide | 組成式: | C9 H11 N O S | SMILES: | S=CNCCOc1ccccc1 | InChi: | InChI=1S/C9H11NOS/c12-8-10-6-7-11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,12) | 定義日: | 2021-02-24 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | ~{N}-(2-phenoxyethyl)methanethioamide |
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| 04Y | 表記: | N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide | 組成式: | C20 H23 N3 O | SMILES: | O=C(NC1CC1)C1CCN(CC1)c1cnccc1c1ccccc1 | InChi: | InChI=1S/C20H23N3O/c24-20(22-17-6-7-17)16-9-12-23(13-10-16)19-14-21-11-8-18(19)15-4-2-1-3-5-15/h1-5,8,11,14,16-17H,6-7,9-10,12-13H2,(H,22,24) | 定義日: | 2021-06-01 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide |
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| 05D | 表記: | N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide | 組成式: | C17 H23 N5 O | SMILES: | CN(C)C(=O)C1CCN(CC1)c1cnccc1n1cc(C)cn1 | InChi: | InChI=1S/C17H23N5O/c1-13-10-19-22(12-13)15-4-7-18-11-16(15)21-8-5-14(6-9-21)17(23)20(2)3/h4,7,10-12,14H,5-6,8-9H2,1-3H3 | 定義日: | 2021-06-01 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide |
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| RY5 | 表記: | (3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione | 組成式: | C15 H12 Cl N3 O3 | SMILES: | Clc1ccc2c(CC[C]23NC(=O)N(Cc4ccon4)C3=O)c1 | InChi: | InChI=1S/C15H12ClN3O3/c16-10-1-2-12-9(7-10)3-5-15(12)13(20)19(14(21)17-15)8-11-4-6-22-18-11/h1-2,4,6-7H,3,5,8H2,(H,17,21)/t15-/m0/s1 | 定義日: | 2020-11-02 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | (3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione |
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| V18 | 表記: | 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione | 組成式: | C19 H19 N3 O2 | SMILES: | O=C1N[C]2(C[CH](C2)C3CCC3)C(=O)N1c4cncc5ccccc45 | InChi: | InChI=1S/C19H19N3O2/c23-17-19(8-14(9-19)12-5-3-6-12)21-18(24)22(17)16-11-20-10-13-4-1-2-7-15(13)16/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,21,24)/t14-,19- | 定義日: | 2021-04-06 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione |
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| V1B | 表記: | 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione | 組成式: | C21 H17 N3 O2 | SMILES: | O=C1N[C]2(C[CH](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45 | InChi: | InChI=1S/C21H17N3O2/c25-19-21(10-16(11-21)14-6-2-1-3-7-14)23-20(26)24(19)18-13-22-12-15-8-4-5-9-17(15)18/h1-9,12-13,16H,10-11H2,(H,23,26)/t16-,21+ | 定義日: | 2021-04-06 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione |
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| 4VH | 表記: | N-[2-[4-[(2S)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide | 組成式: | C30 H38 N6 O10 S | SMILES: | OCCNC(=O)[CH](Cc1cn(CCNC(=O)c2ccc(S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2)nn1)NC(=O)COc4ccccc4 | InChi: | InChI=1S/C30H38N6O10S/c37-13-11-32-29(44)22(33-24(39)17-45-20-4-2-1-3-5-20)14-19-15-36(35-34-19)12-10-31-28(43)18-6-8-21(9-7-18)47-30-27(42)26(41)25(40)23(16-38)46-30/h1-9,15,22-23,25-27,30,37-38,40-42H,10-14,16-17H2,(H,31,43)(H,32,44)(H,33,39)/t22-,23+,25-,26-,27+,30-/m0/s1 | 定義日: | 2021-08-06 | 最終更新日: | 2022-02-15 | 公開日: | 2022-02-16 | 識別子(ID): | ~{N}-[2-[4-[(2~{S})-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide |
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| Z3J | 表記: | 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide | 組成式: | C23 H24 N2 O5 | SMILES: | CNC(=O)c1c2c(oc1c1ccc(O)cc1)ccc(O)c2CN1CCC2(C1)COC2 | InChi: | InChI=1S/C23H24N2O5/c1-24-22(28)20-19-16(10-25-9-8-23(11-25)12-29-13-23)17(27)6-7-18(19)30-21(20)14-2-4-15(26)5-3-14/h2-7,26-27H,8-13H2,1H3,(H,24,28) | 定義日: | 2021-04-08 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide |
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| Y37 | 表記: | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid | 組成式: | C14 H18 F N2 O7 P | SMILES: | C1C(C(=CC1C(O)=O)NCc2c(cnc(C)c2O)COP(O)(O)=O)F | InChi: | InChI=1S/C14H18FN2O7P/c1-7-13(18)10(9(4-16-7)6-24-25(21,22)23)5-17-12-3-8(14(19)20)2-11(12)15/h3-4,8,11,17-18H,2,5-6H2,1H3,(H,19,20)(H2,21,22,23)/t8-,11-/m1/s1 | 定義日: | 2021-02-01 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid |
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