| H0O | 表記: | ~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide | 組成式: | C22 H23 N5 O | SMILES: | CCC(=O)Nc1ccc(cc1)n2nc(C)c(c2C)c3c(C)ccc4n[nH]cc34 | InChi: | InChI=1S/C22H23N5O/c1-5-20(28)24-16-7-9-17(10-8-16)27-15(4)22(14(3)26-27)21-13(2)6-11-19-18(21)12-23-25-19/h6-12H,5H2,1-4H3,(H,23,25)(H,24,28) | 定義日: | 2022-02-07 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-27 | 識別子(ID): | ~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide |
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| H2T | 表記: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one | 組成式: | C29 H30 Cl N7 O | SMILES: | CCC(=O)N1CC2(CC(C2)n3nc(c4ccc5n(C)ncc5c4)c(c3C)c6c(Cl)c(C)cc7[nH]ncc67)C1 | InChi: | InChI=1S/C29H30ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h6-9,12-13,20H,5,10-11,14-15H2,1-4H3,(H,31,33) | 定義日: | 2022-02-07 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-27 | 識別子(ID): | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one |
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| H5I | 表記: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one | 組成式: | C17 H18 F3 N7 O3 | SMILES: | C[CH]1COC(=O)N1c2cc(nc(n2)N3CCOCC3)c4cnc(N)nc4C(F)(F)F | InChi: | InChI=1S/C17H18F3N7O3/c1-9-8-30-16(28)27(9)12-6-11(23-15(24-12)26-2-4-29-5-3-26)10-7-22-14(21)25-13(10)17(18,19)20/h6-7,9H,2-5,8H2,1H3,(H2,21,22,25)/t9-/m0/s1 | 定義日: | 2022-02-07 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-18 | 識別子(ID): | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one |
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| I0F | 表記: | 2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide | 組成式: | C18 H23 N3 O6 | SMILES: | CN(C)c1ccc(cc1)C=C(C#N)C(=O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O | InChi: | InChI=1S/C18H23N3O6/c1-21(2)12-5-3-10(4-6-12)7-11(8-19)17(26)20-18-16(25)15(24)14(23)13(9-22)27-18/h3-7,13-16,18,22-25H,9H2,1-2H3,(H,20,26)/b11-7+/t13-,14-,15+,16-,18-/m1/s1 | 定義日: | 2022-02-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-02 | 識別子(ID): | (~{E})-2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]prop-2-enamide |
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| I0J | 表記: | 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one | 組成式: | C24 H29 N3 O2 | SMILES: | NC1=Nc2cc(CCCCCc3ccccc3)ccc2C(=O)N1C[CH]4CCCO4 | InChi: | InChI=1S/C24H29N3O2/c25-24-26-22-16-19(11-6-2-5-10-18-8-3-1-4-9-18)13-14-21(22)23(28)27(24)17-20-12-7-15-29-20/h1,3-4,8-9,13-14,16,20H,2,5-7,10-12,15,17H2,(H2,25,26)/t20-/m1/s1 | 定義日: | 2022-02-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-29 | 識別子(ID): | 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one |
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| I0M | 表記: | 2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid | 組成式: | C27 H32 Cl2 N6 O4 | SMILES: | C[NH+]1CCN(CC1)c2ncc(Oc3cc(C[NH+]4CC[CH](C4)OCC(O)=O)cc(n3)c5cc(Cl)cc(Cl)c5)cn2 | InChi: | InChI=1S/C27H30Cl2N6O4/c1-33-4-6-35(7-5-33)27-30-13-23(14-31-27)39-25-9-18(15-34-3-2-22(16-34)38-17-26(36)37)8-24(32-25)19-10-20(28)12-21(29)11-19/h8-14,22H,2-7,15-17H2,1H3,(H,36,37)/p+2/t22-/m0/s1 | 定義日: | 2022-02-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-13 | 識別子(ID): | 2-[(3~{S})-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid |
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| I0Q | 表記: | (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate | 組成式: | C33 H42 Cl2 N7 O4 | SMILES: | C[CH](CC[NH+]1CCN(CC1)c2ncc(Oc3cc(C[NH+]4CCC(CC4)CNC(C)=O)cc(n3)c5cc(Cl)cc(Cl)c5)cn2)C([O-])=O | InChi: | InChI=1S/C33H41Cl2N7O4/c1-22(32(44)45)3-6-40-9-11-42(12-10-40)33-37-19-29(20-38-33)46-31-14-25(13-30(39-31)26-15-27(34)17-28(35)16-26)21-41-7-4-24(5-8-41)18-36-23(2)43/h13-17,19-20,22,24H,3-12,18,21H2,1-2H3,(H,36,43)(H,44,45)/p+1/t22-/m1/s1 | 定義日: | 2022-02-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-20 | 識別子(ID): | (2~{R})-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate |
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| I0T | 表記: | N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide | 組成式: | C32 H42 Cl2 N6 O3 | SMILES: | COCC[NH+]1CCN(CC1)c2ccc(Oc3cc(C[NH+]4CCC(CC4)CNC(C)=O)cc(n3)c5cc(Cl)cc(Cl)c5)cn2 | InChi: | InChI=1S/C32H40Cl2N6O3/c1-23(41)35-20-24-5-7-39(8-6-24)22-25-15-30(26-17-27(33)19-28(34)18-26)37-32(16-25)43-29-3-4-31(36-21-29)40-11-9-38(10-12-40)13-14-42-2/h3-4,15-19,21,24H,5-14,20,22H2,1-2H3,(H,35,41)/p+2 | 定義日: | 2022-02-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-20 | 識別子(ID): | ~{N}-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide |
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| I0W | 表記: | 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate | 組成式: | C32 H39 Cl2 N6 O4 | SMILES: | CC(=O)NCC1CC[NH+](CC1)Cc2cc(Oc3ccc(nc3)N4CC[NH+](CC4)CCC([O-])=O)nc(c2)c5cc(Cl)cc(Cl)c5 | InChi: | InChI=1S/C32H38Cl2N6O4/c1-22(41)35-19-23-4-7-39(8-5-23)21-24-14-29(25-16-26(33)18-27(34)17-25)37-31(15-24)44-28-2-3-30(36-20-28)40-12-10-38(11-13-40)9-6-32(42)43/h2-3,14-18,20,23H,4-13,19,21H2,1H3,(H,35,41)(H,42,43)/p+1 | 定義日: | 2022-02-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-20 | 識別子(ID): | 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate |
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| I1G | 表記: | 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate | 組成式: | C31 H38 Cl2 N7 O4 | SMILES: | CC(=O)NCC1CC[NH+](CC1)Cc2cc(Oc3cnc(nc3)N4CC[NH+](CC4)CCC([O-])=O)nc(c2)c5cc(Cl)cc(Cl)c5 | InChi: | InChI=1S/C31H37Cl2N7O4/c1-21(41)34-17-22-2-5-39(6-3-22)20-23-12-28(24-14-25(32)16-26(33)15-24)37-29(13-23)44-27-18-35-31(36-19-27)40-10-8-38(9-11-40)7-4-30(42)43/h12-16,18-19,22H,2-11,17,20H2,1H3,(H,34,41)(H,42,43)/p+1 | 定義日: | 2022-02-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-20 | 識別子(ID): | 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate |
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| I1X | 表記: | 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide | 組成式: | C19 H23 N4 O4 | SMILES: | Cc1ccc(cc1[N+]([O-])=O)C(=O)NCCCCC[n+]2ccccc2C=NO | InChi: | InChI=1S/C19H22N4O4/c1-15-8-9-16(13-18(15)23(26)27)19(24)20-10-4-2-5-11-22-12-6-3-7-17(22)14-21-25/h3,6-9,12-14H,2,4-5,10-11H2,1H3,(H,20,24)/p+1 | 定義日: | 2022-02-08 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-27 | 識別子(ID): | ~{N}-[5-[2-[(~{E})-hydroxyiminomethyl]pyridin-1-ium-1-yl]pentyl]-4-methyl-3-nitro-benzamide |
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| I2Q | 表記: | 3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one | 組成式: | C24 H18 F3 N O2 | SMILES: | CC1=C(Nc2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | InChi: | InChI=1S/C24H18F3NO2/c1-15-22(28-21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13H,14H2,1H3,(H,28,29) | 別名: | 3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1H-quinolin-4-one | 定義日: | 2022-02-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-08-10 | 識別子(ID): | 3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one |
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| I2T | 表記: | (2~{S})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid | 組成式: | C14 H22 N3 O11 P | SMILES: | CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N(CC[CH](N)C(O)=O)C1=O | InChi: | InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/t7-,8+,9+,10+,11-/m0/s1 | 定義日: | 2022-02-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-06-15 | 識別子(ID): | (2~{S})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid |
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| I2W | 表記: | 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one | 組成式: | C14 H16 Cl N5 O S | SMILES: | Clc1cccc(c1)N2CCN(CC2)C(=O)CSc3n[nH]cn3 | InChi: | InChI=1S/C14H16ClN5OS/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)13(21)9-22-14-16-10-17-18-14/h1-3,8,10H,4-7,9H2,(H,16,17,18) | 定義日: | 2022-02-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-04 | 識別子(ID): | 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1~{H}-1,2,4-triazol-3-ylsulfanyl)ethanone |
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| I2Z | 表記: | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione | 組成式: | C12 H16 N4 O2 | SMILES: | CN[CH]1[CH](N)N(Cc2ccccc2)C(=O)NC1=O | InChi: | InChI=1S/C12H16N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,9-10,14H,7,13H2,1H3,(H,15,17,18)/t9-,10+/m1/s1 | 定義日: | 2022-02-09 | 最終更新日: | 2022-08-22 | 公開日: | 2022-05-04 | 識別子(ID): | (5~{R})-6-azanyl-5-(methylamino)-1-(phenylmethyl)-1,3-diazinane-2,4-dione |
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| I3V | 表記: | 5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione | 組成式: | C5 H7 N3 O2 | SMILES: | CC1=C(N)C(=O)NC(=O)N1 | InChi: | InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10) | 定義日: | 2022-02-10 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-02 | 識別子(ID): | 5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione |
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| I4H | 表記: | ~{N}-ethyl-4-methyl-3-nitro-benzamide | 組成式: | C10 H12 N2 O3 | SMILES: | CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O | InChi: | InChI=1S/C10H12N2O3/c1-3-11-10(13)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13) | 定義日: | 2022-02-10 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-27 | 識別子(ID): | ~{N}-ethyl-4-methyl-3-nitro-benzamide |
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| I4L | 表記: | (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid | 組成式: | C24 H22 N2 O12 S | SMILES: | OC(=O)C[C](O)(CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)C(O)=O | InChi: | InChI=1S/C24H22N2O12S/c27-16(10-24(36,23(34)35)11-17(28)29)25-5-7-26(8-6-25)39(37,38)15-9-14-18(22(33)21(15)32)20(31)13-4-2-1-3-12(13)19(14)30/h1-4,9,32-33,36H,5-8,10-11H2,(H,28,29)(H,34,35)/t24-/m0/s1 | 定義日: | 2022-02-10 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-06 | 識別子(ID): | (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid |
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| I4S | 表記: | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one | 組成式: | C5 H7 N3 O | SMILES: | CC1=NC(=O)C(=NN1)C | InChi: | InChI=1S/C5H7N3O/c1-3-5(9)6-4(2)8-7-3/h1-2H3,(H,6,8,9) | 定義日: | 2022-02-11 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-02 | 識別子(ID): | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one |
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| I5B | 表記: | (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone | 組成式: | C19 H21 N5 O2 | SMILES: | COc1cc2c([nH]nc2C(=O)N3CCN(C)CC3)cc1c4ccncc4 | InChi: | InChI=1S/C19H21N5O2/c1-23-7-9-24(10-8-23)19(25)18-15-12-17(26-2)14(11-16(15)21-22-18)13-3-5-20-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,21,22) | 定義日: | 2022-02-11 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-23 | 識別子(ID): | (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone |
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| I5N | 表記: | 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine | 組成式: | C22 H26 F N5 | SMILES: | Cc1cc(cc(C)n1)c2cc3[nH]nc(N[CH]4CCNC[CH]4F)c3cc2C5CC5 | InChi: | InChI=1S/C22H26FN5/c1-12-7-15(8-13(2)25-12)17-10-21-18(9-16(17)14-3-4-14)22(28-27-21)26-20-5-6-24-11-19(20)23/h7-10,14,19-20,24H,3-6,11H2,1-2H3,(H2,26,27,28)/t19-,20-/m1/s1 | 定義日: | 2022-02-11 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-23 | 識別子(ID): | 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine |
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| I5Z | 表記: | 6-cyclopropyl-1H-pyrimidine-2,4-dione | 組成式: | C7 H8 N2 O2 | SMILES: | O=C1NC(=O)C=C(N1)C2CC2 | InChi: | InChI=1S/C7H8N2O2/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11) | 定義日: | 2022-02-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-16 | 識別子(ID): | 6-cyclopropyl-1~{H}-pyrimidine-2,4-dione |
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| I62 | 表記: | ~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide | 組成式: | C15 H22 N3 O3 | SMILES: | CCN(CC)C=CCNC(=O)c1ccc(C)c(c1)[N+](O)=O | InChi: | InChI=1S/C15H21N3O3/c1-4-17(5-2)10-6-9-16-15(19)13-8-7-12(3)14(11-13)18(20)21/h6-8,10-11H,4-5,9H2,1-3H3,(H-,16,19,20,21)/p+1/b10-6+ | 定義日: | 2022-02-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-27 | 識別子(ID): | [5-[[(~{E})-3-(diethylamino)prop-2-enyl]carbamoyl]-2-methyl-phenyl]-oxidanyl-oxidanylidene-azanium |
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| I6A | 表記: | 5-methoxy-6-pyridin-4-yl-1~{H}-indole | 組成式: | C14 H12 N2 O | SMILES: | COc1cc2cc[nH]c2cc1c3ccncc3 | InChi: | InChI=1S/C14H12N2O/c1-17-14-8-11-4-7-16-13(11)9-12(14)10-2-5-15-6-3-10/h2-9,16H,1H3 | 定義日: | 2022-02-12 | 最終更新日: | 2022-08-22 | 公開日: | 2022-03-23 | 識別子(ID): | 5-methoxy-6-pyridin-4-yl-1~{H}-indole |
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| I6R | 表記: | 6-ethyl-1H-pyrimidine-2,4-dione | 組成式: | C6 H8 N2 O2 | SMILES: | CCC1=CC(=O)NC(=O)N1 | InChi: | InChI=1S/C6H8N2O2/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10) | 定義日: | 2022-02-15 | 最終更新日: | 2022-08-22 | 公開日: | 2022-02-23 | 識別子(ID): | 6-ethyl-1~{H}-pyrimidine-2,4-dione |
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