| 9N8 | 表記: | 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide | 組成式: | C17 H11 Br F N3 O2 | SMILES: | Fc1cccc(Br)c1C(=O)c2c[nH]c(c2)C(=O)Nc3cccnc3 | InChi: | InChI=1S/C17H11BrFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24) | 定義日: | 2017-06-09 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide |
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| 9NK | 表記: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid | 組成式: | C16 H21 N O3 S | SMILES: | OC(=O)[CH]1CCCCN1C(=O)[CH](CS)Cc2ccccc2 | InChi: | InChI=1S/C16H21NO3S/c18-15(17-9-5-4-8-14(17)16(19)20)13(11-21)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,21H,4-5,8-11H2,(H,19,20)/t13-,14-/m1/s1 | 定義日: | 2017-06-09 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid |
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| 9X4 | 表記: | (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide | 組成式: | C25 H25 N5 O3 | SMILES: | c5c2c(c1nc(C(=O)N)c(n1C3CC2C3)C(NC)=O)cc(C#CC(c4oc(cn4)C)(C)C)c5 | InChi: | InChI=1S/C25H25N5O3/c1-13-12-28-24(33-13)25(2,3)8-7-14-5-6-17-15-10-16(11-15)30-20(23(32)27-4)19(21(26)31)29-22(30)18(17)9-14/h5-6,9,12,15-16H,10-11H2,1-4H3,(H2,26,31)(H,27,32)/t15-,16+ | 定義日: | 2017-06-21 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide |
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| 9B3 | 表記: | (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid | 組成式: | C9 H11 Cl N2 O2 Se | SMILES: | Nc1ncc(C[CH](C[SeH])C(O)=O)cc1Cl | InChi: | InChI=1S/C9H11ClN2O2Se/c10-7-2-5(3-12-8(7)11)1-6(4-15)9(13)14/h2-3,6,15H,1,4H2,(H2,11,12)(H,13,14)/t6-/m1/s1 | 定義日: | 2018-03-01 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid |
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| BGZ | 表記: | [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{S})-6-methyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate | 組成式: | C30 H48 O8 | SMILES: | CC[CH](O)[CH](C)[CH]1O[CH]1C[CH](C)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O)C=C[CH]2C | InChi: | InChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+/t18-,20+,21-,23-,24+,25-,26+,28-,29-,30-/m1/s1 | 定義日: | 2017-10-04 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{S})-6-methyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate |
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| V16 | 表記: | N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide | 組成式: | C12 H18 N2 O | SMILES: | N(c1ccc(cc1C)CCCC)[C@H]=NO | InChi: | InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14) | 定義日: | 2018-01-26 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide |
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| DD8 | 表記: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one | 組成式: | C21 H20 N4 O2 | SMILES: | CN1C(=O)N(C2CCOCC2)c3c1cnc4ccc(cc34)c5cccnc5 | InChi: | InChI=1S/C21H20N4O2/c1-24-19-13-23-18-5-4-14(15-3-2-8-22-12-15)11-17(18)20(19)25(21(24)26)16-6-9-27-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3 | 定義日: | 2018-01-12 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one |
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| VC6 | 表記: | 4-amino-1-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one | 組成式: | C10 H16 Cl F N3 O12 P3 | SMILES: | C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Cl)(P(O)(O)=O)F)=O | InChi: | InChI=1S/C10H16ClFN3O12P3/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t5-,6-,8+,10+/m0/s1 | 定義日: | 2018-03-26 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | 4-amino-1-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one |
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| VC8 | 表記: | 4-amino-1-{2-deoxy-5-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one | 組成式: | C10 H16 Cl2 N3 O12 P3 | SMILES: | C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Cl)(P(O)(O)=O)Cl)=O | InChi: | InChI=1S/C10H16Cl2N3O12P3/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t5-,6-,8+/m0/s1 | 定義日: | 2018-03-26 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | 4-amino-1-{2-deoxy-5-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one |
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| VC9 | 表記: | 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine | 組成式: | C10 H16 Br2 N3 O12 P3 | SMILES: | C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Br)(P(O)(O)=O)Br)=O | InChi: | InChI=1S/C10H16Br2N3O12P3/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t5-,6+,8+/m0/s1 | 定義日: | 2018-03-26 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
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| DJJ | 表記: | 5'-O-[(R)-{[(R)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine | 組成式: | C10 H17 Cl N3 O12 P3 | SMILES: | C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Cl)P(O)(O)=O)=O | InChi: | InChI=1S/C10H17ClN3O12P3/c11-9(27(17,18)19)28(20,21)26-29(22,23)24-4-6-5(15)3-8(25-6)14-2-1-7(12)13-10(14)16/h1-2,5-6,8-9,15H,3-4H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,8+,9-/m0/s1 | 定義日: | 2017-10-26 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | 5'-O-[(R)-{[(R)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine |
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| DYZ | 表記: | 7-ethyl-3-(phenylmethyl)purine-2,6-dione | 組成式: | C14 H14 N4 O2 | SMILES: | CCn1cnc2N(Cc3ccccc3)C(=O)NC(=O)c12 | InChi: | InChI=1S/C14H14N4O2/c1-2-17-9-15-12-11(17)13(19)16-14(20)18(12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,19,20) | 定義日: | 2018-02-05 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | 7-ethyl-3-(phenylmethyl)purine-2,6-dione |
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| DZH | 表記: | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide | 組成式: | C25 H26 N6 O5 S | SMILES: | CCn1cnc2N(Cc3ccc(CN[S](=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)C(=O)NC(=O)c12 | InChi: | InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34) | 定義日: | 2018-02-06 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide |
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| E78 | 表記: | ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | 組成式: | C20 H23 N3 O2 S | SMILES: | C[CH](C1CC1)N2Cc3cc(cc(C)c3C2=O)c4sc(NC(C)=O)nc4C | InChi: | InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1 | 定義日: | 2018-02-22 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide |
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| VT6 | 表記: | 5'-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine | 組成式: | C11 H17 Cl F N2 O13 P3 | SMILES: | O=C1C(C)=CN(C(N1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(Cl)(P(O)(O)=O)F)=O | InChi: | InChI=1S/C11H17ClFN2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-31(24,25)28-30(22,23)11(12,13)29(19,20)21/h3,6-8,16H,2,4H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,7+,8+,11+/m0/s1 | 定義日: | 2018-03-26 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | 5'-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine |
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| VT7 | 表記: | 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine | 組成式: | C11 H17 F2 N2 O13 P3 | SMILES: | O=C1C(C)=CN(C(N1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F)(P(O)(O)=O)F)=O | InChi: | InChI=1S/C11H17F2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-31(24,25)28-30(22,23)11(12,13)29(19,20)21/h3,6-8,16H,2,4H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,7+,8+/m0/s1 | 定義日: | 2018-03-26 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine |
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| VT8 | 表記: | 5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine | 組成式: | C11 H17 Cl2 N2 O13 P3 | SMILES: | N1(C=C(C(NC1=O)=O)C)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)(Cl)Cl)=O | InChi: | InChI=1S/C11H17Cl2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-31(24,25)28-30(22,23)11(12,13)29(19,20)21/h3,6-8,16H,2,4H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,7+,8+/m0/s1 | 定義日: | 2018-03-26 | 最終更新日: | 2018-06-15 | 公開日: | 2018-06-20 | 識別子(ID): | 5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine |
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| FQV | 表記: | 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide | 組成式: | C10 H11 N O2 S Se | SMILES: | C(C)#CC[Se]c1ccc(cc1)S(N)(=O)=O | InChi: | InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13) | 定義日: | 2018-04-16 | 最終更新日: | 2018-06-08 | 公開日: | 2018-06-13 | 識別子(ID): | 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide |
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| 8P9 | 表記: | 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide | 組成式: | C16 H15 Cl N2 O5 S | SMILES: | COc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Cl)ccc3OC | InChi: | InChI=1S/C16H15ClN2O5S/c1-9-11-7-12(15(23-3)8-14(11)24-18-9)19-25(20,21)16-6-10(17)4-5-13(16)22-2/h4-8,19H,1-3H3 | 定義日: | 2017-08-24 | 最終更新日: | 2018-06-08 | 公開日: | 2018-06-13 | 識別子(ID): | 5-chloranyl-2-methoxy-~{N}-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide |
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| 8PU | 表記: | 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide | 組成式: | C15 H13 Br N2 O5 S | SMILES: | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2O | InChi: | InChI=1S/C15H13BrN2O5S/c1-8-10-6-11(12(19)7-14(10)23-17-8)18-24(20,21)15-5-9(16)3-4-13(15)22-2/h3-7,18-19H,1-2H3 | 定義日: | 2017-08-24 | 最終更新日: | 2018-06-08 | 公開日: | 2018-06-13 | 識別子(ID): | 5-bromanyl-2-methoxy-~{N}-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide |
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| 8PX | 表記: | 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide | 組成式: | C16 H15 Br N2 O5 S | SMILES: | COc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC | InChi: | InChI=1S/C16H15BrN2O5S/c1-9-11-7-12(15(23-3)8-14(11)24-18-9)19-25(20,21)16-6-10(17)4-5-13(16)22-2/h4-8,19H,1-3H3 | 定義日: | 2017-08-24 | 最終更新日: | 2018-06-08 | 公開日: | 2018-06-13 | 識別子(ID): | 5-bromanyl-2-methoxy-~{N}-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide |
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| 8Q3 | 表記: | 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | 組成式: | C16 H15 Br N2 O4 S | SMILES: | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2C | InChi: | InChI=1S/C16H15BrN2O4S/c1-9-6-15-12(10(2)18-23-15)8-13(9)19-24(20,21)16-7-11(17)4-5-14(16)22-3/h4-8,19H,1-3H3 | 定義日: | 2017-08-24 | 最終更新日: | 2018-06-08 | 公開日: | 2018-06-13 | 識別子(ID): | 5-bromanyl-~{N}-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide |
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| 8Q9 | 表記: | 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide | 組成式: | C23 H27 Br N4 O7 S | SMILES: | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2OCC(=O)NCCN4CCOCC4 | InChi: | InChI=1S/C23H27BrN4O7S/c1-15-17-12-18(27-36(30,31)22-11-16(24)3-4-19(22)32-2)21(13-20(17)35-26-15)34-14-23(29)25-5-6-28-7-9-33-10-8-28/h3-4,11-13,27H,5-10,14H2,1-2H3,(H,25,29) | 定義日: | 2017-08-24 | 最終更新日: | 2018-06-08 | 公開日: | 2018-06-13 | 識別子(ID): | 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-~{N}-(2-morpholin-4-ylethyl)ethanamide |
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| 8QC | 表記: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide | 組成式: | C16 H16 Br N3 O4 S | SMILES: | CNc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC | InChi: | InChI=1S/C16H16BrN3O4S/c1-9-11-7-13(12(18-2)8-15(11)24-19-9)20-25(21,22)16-6-10(17)4-5-14(16)23-3/h4-8,18,20H,1-3H3 | 定義日: | 2017-08-24 | 最終更新日: | 2018-06-08 | 公開日: | 2018-06-13 | 識別子(ID): | 5-bromanyl-2-methoxy-~{N}-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide |
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| F0P | 表記: | (2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid | 組成式: | C24 H32 N8 O6 | SMILES: | c12ncnc(c1ncn2C3OC(C(C3O)O)CN(CCCC(N)C(O)=O)CCc4cccc(C(N)=O)c4)N | InChi: | InChI=1S/C24H32N8O6/c25-15(24(36)37)5-2-7-31(8-6-13-3-1-4-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3-4,9,11-12,15-16,18-19,23,33-34H,2,5-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16+,18+,19+,23+/m0/s1 | 定義日: | 2018-02-23 | 最終更新日: | 2018-06-08 | 公開日: | 2018-06-13 | 識別子(ID): | (2S)-2-amino-5-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}[2-(3-carbamoylphenyl)ethyl]amino)pentanoic acid (non-preferred name) |
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