| LLE | 表記: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide | 組成式: | C23 H39 N2 O13 P S | SMILES: | CC(=O)CC(O)=CC(O)=CC(O)=CC(=O)C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)(O)O | InChi: | InChI=1S/C23H39N2O13PS/c1-14(26)8-15(27)9-16(28)10-17(29)11-18(30)12-20(32)40-7-6-24-19(31)4-5-25-22(34)21(33)23(2,3)13-38-39(35,36)37/h9-11,20-21,27-29,32-33,35-37,39H,4-8,12-13H2,1-3H3,(H,24,31)(H,25,34)/b15-9-,16-10-,17-11-/t20-,21+/m1/s1 | 定義日: | 2019-08-22 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide |
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| QLA | 表記: | 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione | 組成式: | C16 H10 F N O3 | SMILES: | C1(c3c(C(C(=C1O)Nc2ccc(cc2)F)=O)cccc3)=O | InChi: | InChI=1S/C16H10FNO3/c17-9-5-7-10(8-6-9)18-13-14(19)11-3-1-2-4-12(11)15(20)16(13)21/h1-8,18,21H | 定義日: | 2019-11-14 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione |
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| Q5Z | 表記: | 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine | 組成式: | C26 H30 N2 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCNCC4 | InChi: | InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3 | 定義日: | 2020-05-19 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine |
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| D2L | 表記: | [(3R,6R)-6-methyloctan-3-yl] 2-[(2S,4S,6R)-2-[(2S)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate | 組成式: | C26 H51 N O4 S | SMILES: | CCC[CH](CC)C[CH]1C[CH](CC[S](=O)(=O)O[CH](CC)CC[CH](C)CC)C[CH](C)N1CC=O | InChi: | InChI=1S/C26H51NO4S/c1-7-11-23(9-3)19-25-20-24(18-22(6)27(25)15-16-28)14-17-32(29,30)31-26(10-4)13-12-21(5)8-2/h16,21-26H,7-15,17-20H2,1-6H3/t21-,22-,23+,24+,25+,26-/m1/s1 | 定義日: | 2019-06-05 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | [(3~{R},6~{R})-6-methyloctan-3-yl] 2-[(2~{S},4~{S},6~{R})-2-[(2~{S})-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate |
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| DY3 | 表記: | 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol | 組成式: | C15 H21 N3 O S | SMILES: | CSc1nnc(CCCO)n1c2cc(C)c(C)c(C)c2 | InChi: | InChI=1S/C15H21N3OS/c1-10-8-13(9-11(2)12(10)3)18-14(6-5-7-19)16-17-15(18)20-4/h8-9,19H,5-7H2,1-4H3 | 定義日: | 2019-09-18 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol |
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| E2C | 表記: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine | 組成式: | C21 H27 Cl N2 O | SMILES: | CCN(CC)CCCCCN1c2ccccc2Oc3ccc(Cl)cc13 | InChi: | InChI=1S/C21H27ClN2O/c1-3-23(4-2)14-8-5-9-15-24-18-10-6-7-11-20(18)25-21-13-12-17(22)16-19(21)24/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3 | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine |
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| E2F | 表記: | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine | 組成式: | C19 H21 Cl N2 O | SMILES: | Clc1ccc2Oc3ccccc3N(CCC4CCNCC4)c2c1 | InChi: | InChI=1S/C19H21ClN2O/c20-15-5-6-19-17(13-15)22(12-9-14-7-10-21-11-8-14)16-3-1-2-4-18(16)23-19/h1-6,13-14,21H,7-12H2 | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine |
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| E2L | 表記: | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine | 組成式: | C20 H23 Cl N2 O | SMILES: | Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1 | InChi: | InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1 | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine |
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| E2O | 表記: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine | 組成式: | C19 H22 Cl N3 O | SMILES: | Clc1ccc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2c1 | InChi: | InChI=1S/C19H22ClN3O/c20-15-5-6-18-17(11-15)23(16-7-9-22-13-19(16)24-18)10-2-4-14-3-1-8-21-12-14/h5-7,9,11,13-14,21H,1-4,8,10,12H2/t14-/m0/s1 | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine |
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| E2R | 表記: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine | 組成式: | C19 H21 Cl N2 O | SMILES: | N[CH]1CC[CH](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24 | InChi: | InChI=1S/C19H21ClN2O/c20-14-7-10-19-17(11-14)22(12-13-5-8-15(21)9-6-13)16-3-1-2-4-18(16)23-19/h1-4,7,10-11,13,15H,5-6,8-9,12,21H2/t13-,15- | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine |
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| E2U | 表記: | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine | 組成式: | C20 H25 Cl N4 O | SMILES: | NCCN1CCC(CC1)CCN2c3ccncc3Oc4ccc(Cl)cc24 | InChi: | InChI=1S/C20H25ClN4O/c21-16-1-2-19-18(13-16)25(17-3-8-23-14-20(17)26-19)11-6-15-4-9-24(10-5-15)12-7-22/h1-3,8,13-15H,4-7,9-12,22H2 | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine |
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| EJF | 表記: | N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide | 組成式: | C27 H37 N5 O5 | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)c1[nH]c2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C=O | InChi: | InChI=1S/C27H37N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13-16,18-19,21,23,30H,9-12H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1 | 定義日: | 2020-01-07 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1~{H}-indole-2-carboxamide |
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| ELF | 表記: | (2S)-2-azanyl-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propanal | 組成式: | C8 H14 N2 O2 | SMILES: | N[CH](C[CH]1CCCNC1=O)C=O | InChi: | InChI=1S/C8H14N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h5-7H,1-4,9H2,(H,10,12)/t6-,7-/m0/s1 | 定義日: | 2020-01-14 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | (2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanal |
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| EOC | 表記: | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide | 組成式: | C23 H31 N3 O4 | SMILES: | CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | InChi: | InChI=1S/C23H31N3O4/c1-16(2)13-20(26-21(28)11-10-17-7-4-3-5-8-17)23(30)25-19(15-27)14-18-9-6-12-24-22(18)29/h3-5,7-8,10-11,15-16,18-20H,6,9,12-14H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)/b11-10+/t18-,19-,20-/m0/s1 | 定義日: | 2020-01-17 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide |
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| EOF | 表記: | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide | 組成式: | C22 H29 N3 O4 | SMILES: | CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O | InChi: | InChI=1S/C22H29N3O4/c1-15(2)12-19(25-20(27)9-8-16-6-4-3-5-7-16)22(29)24-18(14-26)13-17-10-11-23-21(17)28/h3-9,14-15,17-19H,10-13H2,1-2H3,(H,23,28)(H,24,29)(H,25,27)/b9-8+/t17-,18-,19-/m0/s1 | 定義日: | 2020-01-17 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide |
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| EUF | 表記: | 2-(ethyldisulfanyl)-1,3-benzothiazole | 組成式: | C9 H9 N S3 | SMILES: | CCSSc1sc2ccccc2n1 | InChi: | InChI=1S/C9H9NS3/c1-2-11-13-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3 | 定義日: | 2020-01-27 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 2-(ethyldisulfanyl)-1,3-benzothiazole |
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| FHR | 表記: | ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | 組成式: | C25 H32 N4 O4 | SMILES: | O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3[nH]c4ccccc4c3 | InChi: | InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1 | 定義日: | 2020-05-14 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide |
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| FJC | 表記: | ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | 組成式: | C25 H25 F N4 O4 | SMILES: | Fc1cccc(C[CH](NC(=O)c2[nH]c3ccccc3c2)C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1 | InChi: | InChI=1S/C25H25FN4O4/c26-18-6-3-4-15(10-18)11-21(24(33)28-19(14-31)12-17-8-9-27-23(17)32)30-25(34)22-13-16-5-1-2-7-20(16)29-22/h1-7,10,13-14,17,19,21,29H,8-9,11-12H2,(H,27,32)(H,28,33)(H,30,34)/t17-,19-,21-/m0/s1 | 定義日: | 2020-05-14 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide |
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| P4J | 表記: | [(2~{R},3~{R},4~{R},5~{S})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium | 組成式: | C8 H9 N2 O22 V6 | SMILES: | C1(C(O[V](O)(O)O)C(O[V](O)(O)O[V](O)(O)O[V](O)(O)O)C(CO[V](O)(O)O[V](O)(O)O)O1)n2ccnc2 | InChi: | InChI=1S/C8H9N2O4.15H2O.3O.6V/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10 | 定義日: | 2019-07-30 | 最終更新日: | 2020-05-18 | 公開日: | 2020-04-29 | 識別子(ID): | vanadium(4+) hydroxide dihydroxy(dioxido)vanadium (2R,3R,4R,5S)-2-(1H-imidazol-1-yl)-5-(oxidomethyl)tetrahydrofuran-3,4-diolate trihydroxy(oxido)vanadium (4:10:1:1:1) (non-preferred name) |
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| YF2 | 表記: | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | 組成式: | C30 H28 N6 O3 S | SMILES: | CC(n1ccc2c1cc(cc2NS(CC)(=O)=O)c3cn(C)c4c3C=CNC4=O)(c5ccccn5)c6ncccc6 | InChi: | InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | 定義日: | 2019-05-20 | 最終更新日: | 2020-05-15 | 公開日: | 2020-05-20 | 識別子(ID): | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide |
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| NTK | 表記: | 2,3-di(butanoyloxy)propyl butanoate | 組成式: | C15 H26 O6 | SMILES: | CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC | InChi: | InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3 | 定義日: | 2019-12-12 | 最終更新日: | 2020-05-15 | 公開日: | 2020-05-20 | 識別子(ID): | 2,3-di(butanoyloxy)propyl butanoate |
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| QSA | 表記: | ~{N}-methyl-2-[2-[(~{E})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide | 組成式: | C21 H20 N3 O S | SMILES: | C1=CN(C)c4ccccc4C/1=Cc2[n+](CC(NC)=O)c3c(s2)cccc3 | InChi: | InChI=1S/C21H19N3OS/c1-22-20(25)14-24-18-9-5-6-10-19(18)26-21(24)13-15-11-12-23(2)17-8-4-3-7-16(15)17/h3-13H,14H2,1-2H3/p+1 | 定義日: | 2019-12-16 | 最終更新日: | 2020-05-15 | 公開日: | 2020-05-20 | 識別子(ID): | 3-[2-(methylamino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium |
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| QSV | 表記: | (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide) | 組成式: | C20 H24 N8 S | SMILES: | N(/NC(NC)=N)=C(/C)c1ccc3c(c1)c2cc(ccc2s3)C(=NN/C(NC)=N)C | InChi: | InChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)/b25-11+,26-12+ | 定義日: | 2019-12-17 | 最終更新日: | 2020-05-15 | 公開日: | 2020-05-20 | 識別子(ID): | (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide) |
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| QSY | 表記: | N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium | 組成式: | C21 H29 N4 O2 | SMILES: | c4(ccc3nc1c(N=CN(C1=O)CCC[NH+](C2CCCCC2)C)c3c4)OC | InChi: | InChI=1S/C21H28N4O2/c1-24(15-7-4-3-5-8-15)11-6-12-25-14-22-19-17-13-16(27-2)9-10-18(17)23-20(19)21(25)26/h9-10,13-15,23H,3-8,11-12H2,1-2H3/p+1 | 定義日: | 2019-12-17 | 最終更新日: | 2020-05-15 | 公開日: | 2020-05-20 | 識別子(ID): | N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium |
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| NJY | 表記: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate | 組成式: | C33 H43 F N4 O8 S | SMILES: | C12CC3COC1OCC2C3OC(=O)NC(Cc4cccc(c4)F)C(O)CN(CC(C)C)S(=O)(=O)c5cc6c(cc5)nc(o6)NC(C)C | InChi: | InChI=1S/C33H43FN4O8S/c1-18(2)14-38(47(41,42)23-8-9-26-29(13-23)45-32(36-26)35-19(3)4)15-28(39)27(11-20-6-5-7-22(34)10-20)37-33(40)46-30-21-12-24-25(30)17-44-31(24)43-16-21/h5-10,13,18-19,21,24-25,27-28,30-31,39H,11-12,14-17H2,1-4H3,(H,35,36)(H,37,40)/t21-,24-,25-,27+,28-,30+,31+/m1/s1 | 定義日: | 2019-05-16 | 最終更新日: | 2020-05-15 | 公開日: | 2020-05-20 | 識別子(ID): | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate |
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