 | | A1BEA | | 表記: | (2R)-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name) | | 組成式: | C60 H80 F3 N11 O6 S | | SMILES: | CN1C(C2CC2)C1C(=O)N1CCC2(CCN(C2)C(C(C)C)C(=O)NC2Cc3nc(cs3)c3ccc4n(CC(F)(F)F)c(c5cc(cnc5C(C)OC)N5CCN(CC5)C5CC5)c(CC(C)(C)COC(=O)C5CCCN(N5)C2=O)c4c3)C1 | | InChi: | InChI=1S/C60H80F3N11O6S/c1-35(2)50(71-19-16-59(31-71)17-20-72(32-59)56(77)53-51(68(53)6)37-10-11-37)54(75)66-45-27-48-65-46(30-81-48)38-12-15-47-41(25-38)43(28-58(4,5)34-80-57(78)44-9-8-18-74(67-44)55(45)76)52(73(47)33-60(61,62)63)42-26-40(29-64-49(42)36(3)79-7)70-23-21-69(22-24-70)39-13-14-39/h12,15,25-26,29-30,35-37,39,44-45,50-51,53,67H,8-11,13-14,16-24,27-28,31-34H2,1-7H3,(H,66,75)/t36-,44?,45?,50?,51?,53?,59+,68+/m1/s1 | | 定義日: | 2024-10-24 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | (2R)-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-21-(2,2,2-trifluoroethyl)-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methylbutanamide (non-preferred name) |
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 | | A1BTN | | 表記: | (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)pyrimidine-2,4(1H,3H)-dione | | 組成式: | C25 H15 Cl N6 O2 | | SMILES: | Clc1cccc(c1)C=1NC(=O)N(c2cncc3ccccc32)C(=O)C=1n1nnc2ccccc21 | | InChi: | InChI=1S/C25H15ClN6O2/c26-17-8-5-7-15(12-17)22-23(32-20-11-4-3-10-19(20)29-30-32)24(33)31(25(34)28-22)21-14-27-13-16-6-1-2-9-18(16)21/h1-14H,(H,28,34) | | 定義日: | 2025-01-16 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)pyrimidine-2,4(1H,3H)-dione |
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 | | A1BTO | | 表記: | (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione | | 組成式: | C28 H17 Cl N6 O2 | | SMILES: | Clc1cccc(c1)C=1N(CC#C)C(=O)N(c2cncc3ccccc32)C(=O)C=1n1nnc2ccccc21 | | InChi: | InChI=1S/C28H17ClN6O2/c1-2-14-33-25(18-9-7-10-20(29)15-18)26(35-23-13-6-5-12-22(23)31-32-35)27(36)34(28(33)37)24-17-30-16-19-8-3-4-11-21(19)24/h1,3-13,15-17H,14H2 | | 定義日: | 2025-01-16 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione |
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 | | A1BTP | | 表記: | (3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione | | 組成式: | C23 H18 N6 O2 | | SMILES: | CC=1N(CC=C)C(=O)N(c2cncc3ccccc32)C(=O)C=1n1nnc2ccccc21 | | InChi: | InChI=1S/C23H18N6O2/c1-3-12-27-15(2)21(29-19-11-7-6-10-18(19)25-26-29)22(30)28(23(27)31)20-14-24-13-16-8-4-5-9-17(16)20/h3-11,13-14H,1,12H2,2H3 | | 別名: | (3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, bound form | | 定義日: | 2025-01-16 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | (3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione |
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 | | A1BWI | | 表記: | 5-ethyl-1,3-diazinane-2,4,6-trione | | 組成式: | C6 H8 N2 O3 | | SMILES: | O=C1NC(=O)NC(=O)C1CC | | InChi: | InChI=1S/C6H8N2O3/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11) | | 定義日: | 2025-02-11 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | 5-ethyl-1,3-diazinane-2,4,6-trione |
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 | | A1BWJ | | 表記: | 5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione | | 組成式: | C11 H10 N2 O4 | | SMILES: | O=C1NC(=O)NC(=O)C1Cc1cccc(O)c1 | | InChi: | InChI=1S/C11H10N2O4/c14-7-3-1-2-6(4-7)5-8-9(15)12-11(17)13-10(8)16/h1-4,8,14H,5H2,(H2,12,13,15,16,17) | | 定義日: | 2025-02-11 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | 5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione |
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 | | A1CAJ | | 表記: | (1S,5S,7S)-7-(2-methoxyphenyl)-8-oxaspiro[4.5]decan-1-yl {(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate | | 組成式: | C38 H50 N2 O8 S | | SMILES: | COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1CCCC21CCOC(C2)c1ccccc1OC | | InChi: | InChI=1S/C38H50N2O8S/c1-27(2)25-40(49(43,44)30-18-16-29(45-3)17-19-30)26-33(41)32(23-28-11-6-5-7-12-28)39-37(42)48-36-15-10-20-38(36)21-22-47-35(24-38)31-13-8-9-14-34(31)46-4/h5-9,11-14,16-19,27,32-33,35-36,41H,10,15,20-26H2,1-4H3,(H,39,42)/t32-,33+,35-,36-,38-/m0/s1 | | 定義日: | 2025-04-23 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | (1S,5S,7S)-7-(2-methoxyphenyl)-8-oxaspiro[4.5]decan-1-yl {(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate |
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 | | A1CB0 | | 表記: | (6R,13R,14R)-10-fluoro-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-5(14H)-one | | 組成式: | C23 H19 F N6 O2 | | SMILES: | CC(C)(O)c1ncc(cn1)c1nc2c(nc3CN4CC(n23)c2ccccc2C4=O)cc1F | | InChi: | InChI=1S/C23H19FN6O2/c1-23(2,32)22-25-8-12(9-26-22)19-15(24)7-16-20(28-19)30-17-10-29(11-18(30)27-16)21(31)14-6-4-3-5-13(14)17/h3-9,17,32H,10-11H2,1-2H3/t17-/m0/s1 | | 定義日: | 2025-05-09 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | (6R,13R,14R)-10-fluoro-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-5(14H)-one |
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 | | A1CB1 | | 表記: | 2-{5-[(1S,10S)-1-phenyl-1,2,3,4-tetrahydropyrido[1,2-a][1,3]benzimidazol-8-yl]pyrimidin-2-yl}propan-2-ol | | 組成式: | C24 H24 N4 O | | SMILES: | CC(C)(O)c1ncc(cn1)c1ccc2nc3CCCC(c4ccccc4)n3c2c1 | | InChi: | InChI=1S/C24H24N4O/c1-24(2,29)23-25-14-18(15-26-23)17-11-12-19-21(13-17)28-20(9-6-10-22(28)27-19)16-7-4-3-5-8-16/h3-5,7-8,11-15,20,29H,6,9-10H2,1-2H3/t20-/m0/s1 | | 定義日: | 2025-05-09 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | 2-{5-[(1S,10S)-1-phenyl-1,2,3,4-tetrahydropyrido[1,2-a][1,3]benzimidazol-8-yl]pyrimidin-2-yl}propan-2-ol |
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 | | A1CBZ | | 表記: | (6R,13R,14S)-1-(difluoromethoxy)-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-5(14H)-one | | 組成式: | C24 H20 F2 N6 O3 | | SMILES: | CC(C)(O)c1ncc(cn1)c1nc2c(nc3CN4CC(n23)c2c(OC(F)F)cccc2C4=O)cc1 | | InChi: | InChI=1S/C24H20F2N6O3/c1-24(2,34)22-27-8-12(9-28-22)14-6-7-15-20(30-14)32-16-10-31(11-18(32)29-15)21(33)13-4-3-5-17(19(13)16)35-23(25)26/h3-9,16,23,34H,10-11H2,1-2H3/t16-/m1/s1 | | 定義日: | 2025-05-09 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | (6R,13R,14S)-1-(difluoromethoxy)-11-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-5(14H)-one |
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 | | A1CCE | | 表記: | (4S,8aR)-7-{5-[(6R,13R,14S)-5,14-dihydro-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl}hexahydroimidazo[1,5-a]pyrazin-3(2H)-one | | 組成式: | C26 H25 N9 O | | SMILES: | O=C1NCC2CN(CCN12)c1ncc(cn1)c1nc2c(nc3CN4CC(n23)c2ccccc2C4)cc1 | | InChi: | InChI=1S/C26H25N9O/c36-26-29-11-18-13-33(7-8-34(18)26)25-27-9-17(10-28-25)20-5-6-21-24(31-20)35-22-14-32(15-23(35)30-21)12-16-3-1-2-4-19(16)22/h1-6,9-10,18,22H,7-8,11-15H2,(H,29,36)/t18-,22-/m1/s1 | | 定義日: | 2025-05-12 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | (4S,8aR)-7-{5-[(6R,13R,14S)-5,14-dihydro-7H-6,14-methanopyrido[3',2':4,5]imidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl}hexahydroimidazo[1,5-a]pyrazin-3(2H)-one |
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 | | A1ECB | | 表記: | 1-~{tert}-butyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indole | | 組成式: | C15 H18 N2 | | SMILES: | CC(C)(C)C1=NCCc2c1[nH]c3ccccc23 | | InChi: | InChI=1S/C15H18N2/c1-15(2,3)14-13-11(8-9-16-14)10-6-4-5-7-12(10)17-13/h4-7,17H,8-9H2,1-3H3 | | 定義日: | 2024-09-25 | | 最終更新日: | 2025-07-18 | | 公開日: | 2025-07-23 | | 識別子(ID): | 1-~{tert}-butyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indole |
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 | | PHZ | | 表記: | 1-PHENYLHYDRAZINE | | 組成式: | C6 H8 N2 | | SMILES: | NNc1ccccc1 | | InChi: | InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2 | | 別名: | phenyldiazane | | 定義日: | 2005-07-29 | | 最終更新日: | 2025-07-17 | | 識別子(ID): | phenylhydrazine |
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 | | A | | 表記: | ADENOSINE-5'-MONOPHOSPHATE | | 組成式: | C10 H14 N5 O7 P | | SMILES: | O=P(O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2025-07-17 | | 識別子(ID): | 5'-adenylic acid |
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 | | 79I | | 表記: | 3-[(2S)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one | | 組成式: | C7 H13 N3 O | | SMILES: | N[CH](C[CH]1CCNC1=O)C=N | | InChi: | InChI=1S/C7H13N3O/c8-4-6(9)3-5-1-2-10-7(5)11/h4-6,8H,1-3,9H2,(H,10,11)/b8-4+/t5-,6-/m0/s1 | | 定義日: | 2021-09-28 | | 最終更新日: | 2025-07-17 | | 公開日: | 2021-11-03 | | 識別子(ID): | (3~{S})-3-[(2~{S})-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one |
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 | | PV6 | | 表記: | 2-sulfanylbenzamide | | 組成式: | C7 H7 N O S | | SMILES: | O=C(N)c1ccccc1S | | InChi: | InChI=1S/C7H7NOS/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H2,8,9) | | 定義日: | 2023-05-05 | | 最終更新日: | 2025-07-16 | | 公開日: | 2023-06-14 | | 識別子(ID): | 2-sulfanylbenzamide |
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 | | ELA | | 表記: | Elaidic acid | | 組成式: | C18 H34 O2 | | SMILES: | O=C(O)CCCCCCC/C=C/CCCCCCCC | | InChi: | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+ | | 別名: | 9-OCTADECENOIC ACID | | 定義日: | 1999-07-08 | | 最終更新日: | 2025-07-16 | | 識別子(ID): | (9E)-octadec-9-enoic acid |
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 | | ZYH | | 表記: | (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone | | 組成式: | C25 H30 N6 O2 | | SMILES: | O=C(c1ccc2nc(oc2c1)C3CCCCC3)N6CC(N5CCN(c4ncccn4)CC5)C6 | | InChi: | InChI=1S/C25H30N6O2/c32-24(19-7-8-21-22(15-19)33-23(28-21)18-5-2-1-3-6-18)31-16-20(17-31)29-11-13-30(14-12-29)25-26-9-4-10-27-25/h4,7-10,15,18,20H,1-3,5-6,11-14,16-17H2 | | 定義日: | 2010-10-26 | | 最終更新日: | 2025-07-15 | | 識別子(ID): | (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone |
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 | | Z4W | | 表記: | beta-D-lyxopyranose | | 組成式: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5-/m1/s1 | | 別名: | beta-D-lyxose | | 定義日: | 2012-12-18 | | 最終更新日: | 2025-07-15 | | 公開日: | 2020-07-29 | | 識別子(ID): | beta-D-lyxopyranose |
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 | | QQ7 | | 表記: | cucurbit[7]uril | | 組成式: | C42 H42 N28 O14 | | SMILES: | O=C1[N]2C[N]3C4C5[N](C[N]6C7C8[N](C[N]9C%10C%11[N](C[N]%12C%13C%14[N](C[N]%15C%16C%17[N](C[N]%18C%19C%20[N](C[N]1C%21C2N%22CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%21C%22=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O | | InChi: | InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,28+ | | 定義日: | 2010-02-01 | | 最終更新日: | 2025-07-15 |
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 | | 3CD | | 表記: | 3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE | | 組成式: | C22 H28 Cl N6 O14 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(=O)CCl)[CH](O)[CH]3O | | InChi: | InChI=1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-34H,4,6-7H2,(H3-,24,25,26,35,36,37,38)/p+1/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1 | | 別名: | 3-CAPAD | | 定義日: | 2010-02-10 | | 最終更新日: | 2025-07-15 | | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-[3-(2-chloroethanoyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
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 | | A1IHD | | 表記: | 1-[(3~{R})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one | | 組成式: | C22 H20 Cl F N4 O3 | | SMILES: | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[CH]4CCN(C4)C(=O)C=C | | InChi: | InChI=1S/C22H20ClFN4O3/c1-3-21(29)28-7-6-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-13-4-5-17(24)16(23)8-13/h3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27)/t14-/m1/s1 | | 定義日: | 2024-07-08 | | 最終更新日: | 2025-07-11 | | 公開日: | 2025-07-16 | | 識別子(ID): | 1-[(3~{R})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one |
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 | | A1INE | | 表記: | Sulphostin | | 組成式: | C5 H13 N4 O5 P S | | SMILES: | N[CH]1CCCN(C1=O)[P](N)(=O)N[S](O)(=O)=O | | InChi: | InChI=1S/C5H13N4O5PS/c6-4-2-1-3-9(5(4)10)15(7,11)8-16(12,13)14/h4H,1-3,6H2,(H3,7,8,11)(H,12,13,14)/t4-,15-/m0/s1 | | 別名: | [azanyl-[(3~{S})-3-azanyl-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid | | 定義日: | 2024-09-06 | | 最終更新日: | 2025-07-11 | | 公開日: | 2025-07-16 | | 識別子(ID): | [azanyl-[(3~{S})-3-azanyl-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid |
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 | | A1INF | | 表記: | azanyl-oxidanylidene-(sulfoamino)phosphanium | | 組成式: | H4 N2 O4 P S | | SMILES: | N[P+](=O)N[S](O)(=O)=O | | InChi: | InChI=1S/H3N2O4PS/c1-7(3)2-8(4,5)6/h(H3-,1,2,3,4,5,6)/p+1 | | 定義日: | 2024-09-06 | | 最終更新日: | 2025-07-11 | | 公開日: | 2025-07-16 | | 識別子(ID): | azanyl-oxidanylidene-(sulfoamino)phosphanium |
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 | | A1IUM | | 表記: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide | | 組成式: | C33 H39 N5 O6 | | SMILES: | COc1cccc2[nH]c(cc12)C(=O)N3C[CH]4CCC[CH]4[CH]3C(=O)N[CH](C[CH]5CCNC5=O)[CH](O)C(=O)NCc6ccccc6 | | InChi: | InChI=1S/C33H39N5O6/c1-44-27-12-6-11-24-23(27)16-26(36-24)33(43)38-18-21-9-5-10-22(21)28(38)31(41)37-25(15-20-13-14-34-30(20)40)29(39)32(42)35-17-19-7-3-2-4-8-19/h2-4,6-8,11-12,16,20-22,25,28-29,36,39H,5,9-10,13-15,17-18H2,1H3,(H,34,40)(H,35,42)(H,37,41)/t20-,21-,22-,25-,28-,29+/m0/s1 | | 定義日: | 2024-11-20 | | 最終更新日: | 2025-07-11 | | 公開日: | 2025-07-16 | | 識別子(ID): | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide |
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