 | | TU5 | | Name: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline | | Formula: | C11 H10 F3 N3 | | SMILES: | Cc1cn(cn1)c2cc(N)cc(c2)C(F)(F)F | | InChi: | InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3 | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline |
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 | | TUU | | Name: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline | | Formula: | C14 H17 N3 O2 S | | SMILES: | O=[S](=O)(N1CCCNCC1)c2cncc3ccccc23 | | InChi: | InChI=1S/C14H17N3O2S/c18-20(19,17-8-3-6-15-7-9-17)14-11-16-10-12-4-1-2-5-13(12)14/h1-2,4-5,10-11,15H,3,6-9H2 | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline |
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 | | TV6 | | Name: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine | | Formula: | C9 H11 Cl2 N O | | SMILES: | C[CH](N)COc1cc(Cl)cc(Cl)c1 | | InChi: | InChI=1S/C9H11Cl2NO/c1-6(12)5-13-9-3-7(10)2-8(11)4-9/h2-4,6H,5,12H2,1H3/t6-/m0/s1 | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine |
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 | | TVI | | Name: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol | | Formula: | C12 H14 Br N5 O2 | | SMILES: | O[CH]1CNC[CH]1n2cc(COc3cncc(Br)c3)nn2 | | InChi: | InChI=1S/C12H14BrN5O2/c13-8-1-10(3-14-2-8)20-7-9-6-18(17-16-9)11-4-15-5-12(11)19/h1-3,6,11-12,15,19H,4-5,7H2/t11-,12-/m1/s1 | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol |
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 | | TVO | | Name: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol | | Formula: | C13 H18 N2 O | | SMILES: | O[CH]1CNC[CH]1N2CCc3ccccc3C2 | | InChi: | InChI=1S/C13H18N2O/c16-13-8-14-7-12(13)15-6-5-10-3-1-2-4-11(10)9-15/h1-4,12-14,16H,5-9H2/t12-,13-/m1/s1 | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol |
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 | | TW0 | | Name: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol | | Formula: | C12 H15 N5 O | | SMILES: | O[CH]1CNCC[CH]1n2cc(nn2)c3ccccn3 | | InChi: | InChI=1S/C12H15N5O/c18-12-7-13-6-4-11(12)17-8-10(15-16-17)9-3-1-2-5-14-9/h1-3,5,8,11-13,18H,4,6-7H2/t11-,12-/m0/s1 | | Definition date: | 2023-01-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol |
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 | | TWX | | Name: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol | | Formula: | C13 H17 N5 O2 | | SMILES: | Nc1ccc(OCc2cn(nn2)[CH]3CNC[CH]3O)cc1 | | InChi: | InChI=1S/C13H17N5O2/c14-9-1-3-11(4-2-9)20-8-10-7-18(17-16-10)12-5-15-6-13(12)19/h1-4,7,12-13,15,19H,5-6,8,14H2/t12-,13-/m1/s1 | | Definition date: | 2023-01-13 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol |
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 | | 1TK | | Name: | 4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one | | Formula: | C9 H15 F N3 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O | | InChi: | InChI=1S/C9H15FN3O13P3/c10-6-7(14)4(24-8(6)13-2-1-5(11)12-9(13)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1 | | Definition date: | 2021-06-25 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one |
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 | | P5O | | Name: | 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol | | Formula: | C15 H14 O4 | | SMILES: | COc1cc(ccc1O)C=Cc2cc(O)cc(O)c2 | | InChi: | InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+ | | Definition date: | 2023-03-03 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol |
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 | | 80J | | Name: | 2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate) | | Formula: | C9 H15 F N3 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O | | InChi: | InChI=1S/C9H15FN3O13P3/c10-6-7(14)4(24-8(6)13-2-1-5(11)12-9(13)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2021-08-24 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate) |
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 | | FD0 | | Name: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid | | Formula: | C29 H43 N7 O8 | | SMILES: | CCC(=O)N(C1CCN(CCNC(=O)CCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(O)=O)CC1)c2ccccc2 | | InChi: | InChI=1S/C29H43N7O8/c1-2-28(42)36(21-7-4-3-5-8-21)22-11-14-35(15-12-22)16-13-30-23(37)9-6-10-24(38)31-17-25(39)32-18-26(40)33-19-27(41)34-20-29(43)44/h3-5,7-8,22H,2,6,9-20H2,1H3,(H,30,37)(H,31,38)(H,32,39)(H,33,40)(H,34,41)(H,43,44) | | Definition date: | 2022-01-20 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid |
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 | | I2R | | Name: | (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid | | Formula: | C18 H12 N2 O2 | | SMILES: | OC(=O)C(=Cc1cn(c2ccccc2)c3ccccc13)C#N | | InChi: | InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+ | | Synonyms: | UK-5099 | | Definition date: | 2022-06-02 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (~{E})-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid |
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 | | I2U | | Name: | 5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide | | Formula: | C14 H9 Cl N2 O3 S | | SMILES: | NC(=O)n1c(O)c(C(=O)c2sccc2)c3cc(Cl)ccc13 | | InChi: | InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20) | | Synonyms: | tenidap | | Definition date: | 2022-06-02 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | 5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide |
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 | | IRV | | Name: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid | | Formula: | C17 H21 N3 O3 | | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCn2ccnc2 | | InChi: | InChI=1S/C17H21N3O3/c21-16(8-4-5-10-20-11-9-18-13-20)19-15(17(22)23)12-14-6-2-1-3-7-14/h1-3,6-7,9,11,13,15H,4-5,8,10,12H2,(H,19,21)(H,22,23)/t15-/m0/s1 | | Definition date: | 2022-07-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid |
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 | | K8U | | Name: | [(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate | | Formula: | C83 H150 O17 P2 | | SMILES: | CCCCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C83H150O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-44-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-35-31-27-23-19-15-11-7-3)74-94-81(86)68-64-60-56-52-48-45-42-39-37-34-30-26-22-18-14-10-6-2/h22-23,26-27,34-35,37,40,42,45,52,56,77-79,84H,5-21,24-25,28-33,36,38-39,41,43-44,46-51,53-55,57-76H2,1-4H3,(H,89,90)(H,91,92)/b26-22+,27-23-,37-34-,40-35+,45-42+,56-52+/t77-,78+,79+/m1/s1 | | Definition date: | 2022-09-12 | | Last modified: | 2023-05-19 | | Release date: | 2023-05-24 | | Identifier: | [(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate |
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 | | SJL | | Name: | 8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one | | Formula: | C24 H24 F2 N6 O | | SMILES: | CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cc(F)c(cc3F)c4cccc(C)n4 | | InChi: | InChI=1S/C24H24F2N6O/c1-14-6-5-7-21(30-14)18-12-19(25)16(11-20(18)26)17-10-15-13-29-24(28-2)31-22(15)32(23(17)33)9-4-3-8-27/h5-7,10-13H,3-4,8-9,27H2,1-2H3,(H,28,29,31) | | Definition date: | 2022-12-15 | | Last modified: | 2023-05-15 | | Release date: | 2023-01-18 | | Identifier: | 8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
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 | | SJX | | Name: | 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one | | Formula: | C24 H25 Cl N6 O | | SMILES: | CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3ccc(cc3Cl)c4cccc(C)n4 | | InChi: | InChI=1S/C24H25ClN6O/c1-15-6-5-7-21(29-15)16-8-9-18(20(25)13-16)19-12-17-14-28-24(27-2)30-22(17)31(23(19)32)11-4-3-10-26/h5-9,12-14H,3-4,10-11,26H2,1-2H3,(H,27,28,30) | | Definition date: | 2022-12-15 | | Last modified: | 2023-05-15 | | Release date: | 2023-01-18 | | Identifier: | 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
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 | | OIJ | | Name: | 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one | | Formula: | C25 H22 F N5 O2 | | SMILES: | OC1CCN(CC1)c2nccc3n2nc(c4ccc(F)cc4)c3c5ccc6NC(=O)Cc6c5 | | InChi: | InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)24-23(16-3-6-20-17(13-16)14-22(33)28-20)21-7-10-27-25(31(21)29-24)30-11-8-19(32)9-12-30/h1-7,10,13,19,32H,8-9,11-12,14H2,(H,28,33) | | Definition date: | 2022-09-08 | | Last modified: | 2023-05-15 | | Release date: | 2023-04-19 | | Identifier: | 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one |
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 | | SZU | | Name: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide | | Formula: | C21 H21 F N6 O2 | | SMILES: | Fc1cccnc1CNC(=O)c2coc(CCNCCc3[nH]c4ccccc4n3)n2 | | InChi: | InChI=1S/C21H21FN6O2/c22-14-4-3-9-24-17(14)12-25-21(29)18-13-30-20(28-18)8-11-23-10-7-19-26-15-5-1-2-6-16(15)27-19/h1-6,9,13,23H,7-8,10-12H2,(H,25,29)(H,26,27) | | Definition date: | 2022-12-20 | | Last modified: | 2023-05-15 | | Release date: | 2023-03-22 | | Identifier: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide |
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 | | OK6 | | Name: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one | | Formula: | C27 H29 N9 O13 P2 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccccc7)c8c(N)ncnc68 | | InChi: | InChI=1S/C27H29N9O13P2/c28-21-15-12(11-4-2-1-3-5-11)6-35(22(15)31-9-30-21)25-18(38)19-14(47-25)8-45-51(42,43)49-20-17(37)13(7-44-50(40,41)48-19)46-26(20)36-10-32-16-23(36)33-27(29)34-24(16)39/h1-6,9-10,13-14,17-20,25-26,37-38H,7-8H2,(H,40,41)(H,42,43)(H2,28,30,31)(H3,29,33,34,39)/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1 | | Synonyms: | 2',3'-cyclic-GMP-7-deazaphenyl-AMP | | Definition date: | 2022-09-13 | | Last modified: | 2023-05-15 | | Release date: | 2022-10-12 | | Identifier: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one |
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 | | T6O | | Name: | aztreonam | | Formula: | C13 H17 N5 O8 S2 | | SMILES: | C[CH]1[CH](NC(=O)C(=NOC(C)(C)C(O)=O)c2csc(N)n2)C(=O)N1[S](O)(=O)=O | | InChi: | InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/t5-,7-/m1/s1 | | Synonyms: | 2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid | | Definition date: | 2022-12-21 | | Last modified: | 2023-05-15 | | Release date: | 2023-03-08 | | Identifier: | 2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid |
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 | | QG6 | | Name: | (1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid | | Formula: | C16 H28 O4 | | SMILES: | CCC[CH](C)CCCOC(=O)[CH]1CCCC[CH]1C(O)=O | | InChi: | InChI=1S/C16H28O4/c1-3-7-12(2)8-6-11-20-16(19)14-10-5-4-9-13(14)15(17)18/h12-14H,3-11H2,1-2H3,(H,17,18)/t12-,13+,14-/m1/s1 | | Synonyms: | MINCH | | Definition date: | 2022-10-28 | | Last modified: | 2023-05-15 | | Release date: | 2023-03-08 | | Identifier: | (1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid |
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 | | QI6 | | Name: | pyrazolo[5,1-a]phthalazin-6-amine | | Formula: | C10 H8 N4 | | SMILES: | Nc1nn2nccc2c3ccccc13 | | InChi: | InChI=1S/C10H8N4/c11-10-8-4-2-1-3-7(8)9-5-6-12-14(9)13-10/h1-6H,(H2,11,13) | | Definition date: | 2022-10-31 | | Last modified: | 2023-05-15 | | Release date: | 2022-11-23 | | Identifier: | pyrazolo[5,1-a]phthalazin-6-amine |
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 | | OVL | | Name: | (1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione | | Formula: | C29 H36 N14 O8 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)NCCCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O | | InChi: | InChI=1S/C29H36N14O8/c30-23-17-25(37-10-35-23)42(12-39-17)27-21(47)20(46)14(51-27)8-41-6-1-3-15-40-18-24(31)36-11-38-26(18)43(15)28-22(48)19(45)13(50-28)7-34-29(49)33-5-2-4-32-16(44)9-41/h10-14,19-22,27-28,45-48H,2,4-9H2,(H,32,44)(H2,30,35,37)(H2,31,36,38)(H2,33,34,49)/t13-,14-,19-,20-,21-,22-,27-,28-/m1/s1 | | Definition date: | 2022-09-21 | | Last modified: | 2023-05-15 | | Release date: | 2023-01-11 | | Identifier: | (1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione |
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 | | TWI | | Name: | (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one | | Formula: | C21 H18 Cl F3 N4 O2 | | SMILES: | CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(F)c5Cl)ccc14 | | InChi: | InChI=1S/C21H18ClF3N4O2/c1-29-14-5-4-11(27-13-6-7-26-19(23)15(13)22)8-12(14)16-17(20(29)30)31-9-21(24,25)18(28-16)10-2-3-10/h4-8,10,18,28H,2-3,9H2,1H3,(H,26,27)/t18-/m0/s1 | | Definition date: | 2023-01-13 | | Last modified: | 2023-05-15 | | Release date: | 2023-04-26 | | Identifier: | (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one |
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