 | PTE | 表記: | TUNGSTOPTERIN COFACTOR | 組成式: | C20 H22 Mg N10 O14 P2 S4 W | SMILES: | O.O.NC1=NC2=C(N[CH]3[CH](N2)O[CH]4CO[P](O)(=O)O[Mg]O[P](O)(=O)OC[CH]5O[CH]6NC7=C(N[CH]6C8=C5S[W]9(SC4=C3S9)S8)C(=O)NC(=N7)N)C(=O)N1 | InChi: | InChI=1S/2C10H14N5O6PS2.Mg.2H2O.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19 | 定義日: | 1999-07-08 | 最終更新日: | 2025-01-10 | 識別子(ID): | (5~{R},14~{R},16~{R},26~{R},28~{R},37~{R})-10,32-bis(azanyl)-21,21-bis($l^{1}-oxidanyl)-19,23-bis(oxidanyl)-19,23-bis(oxidanylidene)-15,18,20,22,24,27-hexaoxa-2,40,41,42-tetrathia-6,9,11,13,29,31,33,36-octaza-19$l^{5},23$l^{5}-diphospha-1$l^{4}-tungsta-21$l^{4}-magnesanonacyclo[36.2.1.1^{1,4}.0^{3,16}.0^{5,14}.0^{7,12}.0^{26,39}.0^{28,37}.0^{30,35}]dotetraconta-3,7(12),10,30(35),31,38-hexaene-8,34-dione |
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 | A1L3Y | 表記: | ~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide | 組成式: | C22 H32 N6 O7 | SMILES: | NCCOCCOCCOCCNC(=O)CN1C=C2Oc3cccc(OCCN)c3NC2=NC1=O | InChi: | InChI=1S/C22H32N6O7/c23-4-7-31-10-12-33-13-11-32-9-6-25-19(29)15-28-14-18-21(27-22(28)30)26-20-16(34-8-5-24)2-1-3-17(20)35-18/h1-3,14H,4-13,15,23-24H2,(H,25,29)(H,26,27,30) | 定義日: | 2024-08-22 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | ~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide |
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 | A1LV7 | 表記: | cyclopropyl-[1-(2-fluoranylethyl)-5-[[4-[4-[[(3~{R},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone | 組成式: | C28 H32 F N7 O3 | SMILES: | CO[CH]1CN(C[CH]1O)Cc2cn(nc2C)c3ccnc(Nc4ccc5n(CCF)cc(C(=O)C6CC6)c5c4)n3 | InChi: | InChI=1S/C28H32FN7O3/c1-17-19(12-34-15-24(37)25(16-34)39-2)13-36(33-17)26-7-9-30-28(32-26)31-20-5-6-23-21(11-20)22(14-35(23)10-8-29)27(38)18-3-4-18/h5-7,9,11,13-14,18,24-25,37H,3-4,8,10,12,15-16H2,1-2H3,(H,30,31,32)/t24-,25+/m0/s1 | 定義日: | 2024-01-12 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | cyclopropyl-[1-(2-fluoranylethyl)-5-[[4-[4-[[(3~{R},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone |
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 | A1LWQ | 表記: | 3-(4-aminophenyl)-2-oxidanylidene-propanoic acid | 組成式: | C9 H9 N O3 | SMILES: | Nc1ccc(CC(=O)C(O)=O)cc1 | InChi: | InChI=1S/C9H9NO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5,10H2,(H,12,13) | 定義日: | 2024-01-16 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 3-(4-aminophenyl)-2-oxidanylidene-propanoic acid |
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 | A1LWR | 表記: | 1,4-dimethyl-3-[(2-nitrophenyl)methyl]-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one | 組成式: | C23 H21 N3 O6 | SMILES: | CN1C(=O)N(Cc2ccccc2[N+]([O-])=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O | InChi: | InChI=1S/C23H21N3O6/c1-13-15(22(29)20-18(27)8-5-9-19(20)28)10-11-17-21(13)25(23(30)24(17)2)12-14-6-3-4-7-16(14)26(31)32/h3-4,6-7,10-11,27H,5,8-9,12H2,1-2H3 | 定義日: | 2024-01-17 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 1,4-dimethyl-3-[(2-nitrophenyl)methyl]-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one |
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 | A1LWU | 表記: | 4-[[1,6-dimethyl-2,5-bis(oxidanylidene)-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile | 組成式: | C26 H23 N3 O5 | SMILES: | CN1C(=O)CN(Cc2ccc(cc2)C#N)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O | InChi: | InChI=1S/C26H23N3O5/c1-15-18(25(33)24-20(30)4-3-5-21(24)31)10-11-19-23(15)26(34)29(14-22(32)28(19)2)13-17-8-6-16(12-27)7-9-17/h6-11,30H,3-5,13-14H2,1-2H3 | 定義日: | 2024-01-17 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 4-[[1,6-dimethyl-2,5-bis(oxidanylidene)-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile |
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 | A1AVE | 表記: | N-ethyl-5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]-N-(propan-2-yl)benzamide | 組成式: | C27 H37 F N6 O2 | SMILES: | CC(C)N(CC)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC2)CC2(C)CC2)C1 | InChi: | InChI=1S/C27H37FN6O2/c1-5-34(19(2)3)25(35)21-14-20(28)6-7-22(21)36-24-23(29-18-30-31-24)33-16-27(17-33)10-12-32(13-11-27)15-26(4)8-9-26/h6-7,14,18-19H,5,8-13,15-17H2,1-4H3 | 定義日: | 2024-06-14 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | N-ethyl-5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]-N-(propan-2-yl)benzamide |
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 | A1AVF | 表記: | (1R,5R)-2-({5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]phenyl}methyl)-2-azabicyclo[3.1.0]hexan-3-one | 組成式: | C27 H33 F N6 O2 | SMILES: | O=C1CC2CC2N1Cc1cc(F)ccc1Oc1nncnc1N1CC2(CCN(CC2)CC2(C)CC2)C1 | InChi: | InChI=1S/C27H33FN6O2/c1-26(4-5-26)14-32-8-6-27(7-9-32)15-33(16-27)24-25(31-30-17-29-24)36-22-3-2-20(28)10-19(22)13-34-21-11-18(21)12-23(34)35/h2-3,10,17-18,21H,4-9,11-16H2,1H3/t18-,21-/m1/s1 | 定義日: | 2024-06-14 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | (1R,5R)-2-({5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]phenyl}methyl)-2-azabicyclo[3.1.0]hexan-3-one |
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 | A1AWA | 表記: | N-[(2S)-1-{[(2S)-1-hydroxy-3-(pyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | 組成式: | C24 H30 N4 O4 | SMILES: | OCC(Cc1cccnc1)NC(=O)C(CC(C)C)NC(=O)c1cc2c(cccc2OC)[NH]1 | InChi: | InChI=1S/C24H30N4O4/c1-15(2)10-20(23(30)26-17(14-29)11-16-6-5-9-25-13-16)28-24(31)21-12-18-19(27-21)7-4-8-22(18)32-3/h4-9,12-13,15,17,20,27,29H,10-11,14H2,1-3H3,(H,26,30)(H,28,31)/t17-,20-/m0/s1 | 定義日: | 2024-06-28 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | N-[(2S)-1-{[(2S)-1-hydroxy-3-(pyridin-3-yl)propan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
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 | A1AWB | 表記: | N-[(2S)-3-cyclohexyl-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-1H-indole-2-carboxamide | 組成式: | C26 H32 N4 O4 | SMILES: | O=C1NC=CC=C1CC(CO)NC(=O)C(CC1CCCCC1)NC(=O)c1cc2ccccc2[NH]1 | InChi: | InChI=1S/C26H32N4O4/c31-16-20(14-19-10-6-12-27-24(19)32)28-25(33)22(13-17-7-2-1-3-8-17)30-26(34)23-15-18-9-4-5-11-21(18)29-23/h4-6,9-12,15,17,20,22,29,31H,1-3,7-8,13-14,16H2,(H,27,32)(H,28,33)(H,30,34)/t20-,22-/m0/s1 | 定義日: | 2024-06-28 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | N-[(2S)-3-cyclohexyl-1-{[(2S)-1-hydroxy-3-(2-oxo-1,2-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-1H-indole-2-carboxamide |
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 | A1AAZ | 表記: | 2-thio-thymidine | 組成式: | C10 H15 N2 O7 P S | SMILES: | O=P(O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=S | InChi: | InChI=1S/C10H15N2O7PS/c1-5-3-12(10(21)11-9(5)14)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1 | 定義日: | 2024-01-02 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
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 | OG0 | 表記: | 7-cyclopentyl-N,N-dimethyl-2-[4-(methylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | 組成式: | C22 H26 N6 O2 | SMILES: | CNC(=O)c1ccc(cc1)Nc1ncc2cc(C(=O)N(C)C)n(c2n1)C1CCCC1 | InChi: | InChI=1S/C22H26N6O2/c1-23-20(29)14-8-10-16(11-9-14)25-22-24-13-15-12-18(21(30)27(2)3)28(19(15)26-22)17-6-4-5-7-17/h8-13,17H,4-7H2,1-3H3,(H,23,29)(H,24,25,26) | 定義日: | 2022-04-29 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 7-cyclopentyl-N,N-dimethyl-2-[4-(methylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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 | OGR | 表記: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | 組成式: | C21 H25 N7 O2 | SMILES: | CNC(=O)c1ccc(nc1)Nc1ncc2cc(C(=O)N(C)C)n(c2n1)C1CCCC1 | InChi: | InChI=1S/C21H25N7O2/c1-22-19(29)13-8-9-17(23-11-13)25-21-24-12-14-10-16(20(30)27(2)3)28(18(14)26-21)15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3,(H,22,29)(H,23,24,25,26) | 定義日: | 2022-04-29 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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 | 85W | 表記: | 5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1H-pyrimidin-6-one | 組成式: | C14 H10 N2 O5 | SMILES: | Oc1cc(O)c2c(O)cc(cc2c1)C3=NC=C(O)C(=O)N3 | InChi: | InChI=1S/C14H10N2O5/c17-8-2-6-1-7(3-9(18)12(6)10(19)4-8)13-15-5-11(20)14(21)16-13/h1-5,17-20H,(H,15,16,21) | 別名: | 5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1~{H}-pyrimidin-6-one | 定義日: | 2023-07-10 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1~{H}-pyrimidin-6-one |
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 | LRX | 表記: | squarunkin A | 組成式: | C25 H32 F3 N5 O4 | SMILES: | CCOC(=O)N1CCC(CC1)NC2=C(NCCN3CCN(CC3)c4cccc(c4)C(F)(F)F)C(=O)C2=O | InChi: | InChI=1S/C25H32F3N5O4/c1-2-37-24(36)33-9-6-18(7-10-33)30-21-20(22(34)23(21)35)29-8-11-31-12-14-32(15-13-31)19-5-3-4-17(16-19)25(26,27)28/h3-5,16,18,29-30H,2,6-15H2,1H3 | 別名: | ethyl 4-[[3,4-bis(oxidanylidene)-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate | 定義日: | 2022-07-11 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | ethyl 4-[[3,4-bis(oxidanylidene)-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate |
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 | VP4 | 表記: | N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide | 組成式: | C21 H23 Cl N4 O2 | SMILES: | CN(c1cc(ccc1Cl)NC(=O)C(C)Nc2ccc3c(c2)cc(cn3)CO)C | InChi: | InChI=1S/C21H23ClN4O2/c1-13(21(28)25-17-4-6-18(22)20(10-17)26(2)3)24-16-5-7-19-15(9-16)8-14(12-27)11-23-19/h4-11,13,24,27H,12H2,1-3H3,(H,25,28)/t13-/m0/s1 | 定義日: | 2020-08-31 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | N-[4-chloro-3-(dimethylamino)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide |
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 | W2N | 表記: | (1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol | 組成式: | C14 H13 F O | SMILES: | C[CH](O)c1ccc(cc1)c2ccccc2F | InChi: | InChI=1S/C14H13FO/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-10,16H,1H3/t10-/m0/s1 | 定義日: | 2023-09-25 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | (1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol |
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 | W4B | 表記: | (1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol | 組成式: | C14 H13 F O | SMILES: | C[CH](O)c1ccc(cc1)c2ccccc2F | InChi: | InChI=1S/C14H13FO/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-10,16H,1H3/t10-/m1/s1 | 定義日: | 2023-09-25 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | (1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol |
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 | W4K | 表記: | (2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol | 組成式: | C20 H26 F N O3 | SMILES: | CC[CH](O[CH](C)CO)c1ccc(cc1NCCO)c2ccccc2F | InChi: | InChI=1S/C20H26FNO3/c1-3-20(25-14(2)13-24)17-9-8-15(12-19(17)22-10-11-23)16-6-4-5-7-18(16)21/h4-9,12,14,20,22-24H,3,10-11,13H2,1-2H3/t14-,20+/m1/s1 | 定義日: | 2023-09-25 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | (2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol |
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 | W4U | 表記: | 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid | 組成式: | C12 H13 Cl O2 | SMILES: | OC(=O)C1(CCCC1)c2ccc(Cl)cc2 | InChi: | InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15) | 定義日: | 2023-09-25 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid |
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 | W5B | 表記: | 3-phenylphenol | 組成式: | C12 H10 O | SMILES: | Oc1cccc(c1)c2ccccc2 | InChi: | InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H | 定義日: | 2023-09-25 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 3-phenylphenol |
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 | W5K | 表記: | (2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol | 組成式: | C20 H26 F N O3 | SMILES: | CC[CH](O[CH](C)CO)c1ccc(cc1NCCO)c2ccccc2F | InChi: | InChI=1S/C20H26FNO3/c1-3-20(25-14(2)13-24)17-9-8-15(12-19(17)22-10-11-23)16-6-4-5-7-18(16)21/h4-9,12,14,20,22-24H,3,10-11,13H2,1-2H3/t14-,20-/m1/s1 | 定義日: | 2023-09-25 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | (2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol |
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 | WD6 | 表記: | 2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(prop-2-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide | 組成式: | C32 H30 Cl2 F N5 O3 | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCC#C | InChi: | InChI=1S/C32H30Cl2FN5O3/c1-2-13-38-30(41)18-26(14-20-7-11-25(35)12-8-20)39-32(43)29(16-22-9-10-24(33)17-27(22)34)40-31(42)28(37)15-21-5-3-4-6-23(21)19-36/h1,3-12,17,26,28-29H,13-16,18,37H2,(H,38,41)(H,39,43)(H,40,42)/t26-,28+,29+/m0/s1 | 定義日: | 2023-10-02 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(prop-2-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide |
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 | WDF | 表記: | 2,4-dichloro-Nalpha-[(2R)-2-chloro-3-(2-cyanophenyl)propanoyl]-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide | 組成式: | C35 H39 Cl3 F N5 O3 | SMILES: | Clc1cc(Cl)ccc1CC(NC(=O)C(Cl)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCN(C)C | InChi: | InChI=1S/C35H39Cl3FN5O3/c1-44(2)16-6-5-15-41-33(45)21-29(17-23-9-13-28(39)14-10-23)42-35(47)32(19-25-11-12-27(36)20-30(25)37)43-34(46)31(38)18-24-7-3-4-8-26(24)22-40/h3-4,7-14,20,29,31-32H,5-6,15-19,21H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)/t29-,31+,32+/m0/s1 | 定義日: | 2023-10-02 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | 2,4-dichloro-Nalpha-[(2R)-2-chloro-3-(2-cyanophenyl)propanoyl]-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide |
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 | WHE | 表記: | (4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide | 組成式: | C23 H21 Cl F N5 O S | SMILES: | Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC)c2cc1CN1CCC1 | InChi: | InChI=1S/C23H21ClFN5OS/c1-26-23(31)21-10-16(13-32-21)30-20-9-15(12-29-6-3-7-29)19(8-14(20)11-27-30)28-22-17(24)4-2-5-18(22)25/h2,4-5,8-11,13,28H,3,6-7,12H2,1H3,(H,26,31) | 定義日: | 2022-09-09 | 最終更新日: | 2025-01-10 | 公開日: | 2025-01-15 | 識別子(ID): | (4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide |
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