 | | A1EDO | | Name: | (5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one | | Formula: | C29 H32 Cl N5 O4 | | SMILES: | COc1ccc(cc1Cl)N2[CH](CCC2=O)c3nc(cn3C[CH](C)N4CCOCC4)c5ccc6onc(C)c6c5 | | InChi: | InChI=1S/C29H32ClN5O4/c1-18(33-10-12-38-13-11-33)16-34-17-24(20-4-7-26-22(14-20)19(2)32-39-26)31-29(34)25-6-9-28(36)35(25)21-5-8-27(37-3)23(30)15-21/h4-5,7-8,14-15,17-18,25H,6,9-13,16H2,1-3H3/t18-,25-/m0/s1 | | Definition date: | 2024-10-14 | | Last modified: | 2025-03-07 | | Release date: | 2025-03-12 | | Identifier: | (5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one |
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 | | A1EIV | | Name: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C10 H15 N O7 P S | | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)[n+]2cccc(S)c2 | | InChi: | InChI=1S/C10H14NO7PS/c12-8-7(5-17-19(14,15)16)18-10(9(8)13)11-3-1-2-6(20)4-11/h1-4,7-10,12-13H,5H2,(H2-,14,15,16,20)/p+1/t7-,8-,9-,10-/m1/s1 | | Definition date: | 2024-12-31 | | Last modified: | 2025-03-07 | | Release date: | 2025-03-12 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-ium-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | | UI8 | | Name: | 7-$l^{3}-oxidanyl-12~{H}-[2,1]benzazaborolo[2,1-a][1,3,2]benzodiazaborinine | | Formula: | C14 H12 B N2 O | | SMILES: | O[B]12N=Cc3ccccc3N1Cc4ccccc24 | | InChi: | InChI=1S/C14H12BN2O/c18-15-13-7-3-1-6-12(13)10-17(15)14-8-4-2-5-11(14)9-16-15/h1-9,18H,10H2 | | Definition date: | 2023-06-02 | | Last modified: | 2025-03-06 | | Release date: | 2025-03-05 | | Identifier: | 7-oxidanyl-12~{H}-[2,1]benzazaborolo[2,1-a][1,3,2]benzodiazaborinine |
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 | | X92 | | Name: | Ramiprilat | | Formula: | C21 H28 N2 O5 | | SMILES: | C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2[CH]3CCC[CH]3C[CH]2C(O)=O | | InChi: | InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1 | | Definition date: | 2010-03-14 | | Last modified: | 2025-03-05 | | Identifier: | (2~{S},3~{a}~{S},6~{a}~{S})-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-cyclopenta[b]pyrrole-2-carboxylic acid |
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 | | 2MA | | Name: | 2-METHYLADENOSINE-5'-MONOPHOSPHATE | | Formula: | C11 H16 N5 O7 P | | SMILES: | O=P(O)(O)OCC1OC(n2cnc3c(N)nc(C)nc32)C(O)C1O | | InChi: | InChI=1S/C11H16N5O7P/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2025-03-05 | | Identifier: | 2-methyladenosine 5'-(dihydrogen phosphate) |
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 | | A1H4V | | Name: | (2~{R},4~{R})-5,5-dimethyl-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid | | Formula: | C13 H19 N2 O7 P S | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c([CH]2N[CH](C(O)=O)C(C)(C)S2)c1O | | InChi: | InChI=1S/C13H19N2O7PS/c1-6-9(16)8(7(4-14-6)5-22-23(19,20)21)11-15-10(12(17)18)13(2,3)24-11/h4,10-11,15-16H,5H2,1-3H3,(H,17,18)(H2,19,20,21)/t10-,11-/m1/s1 | | Definition date: | 2024-02-19 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | (2~{R},4~{R})-5,5-dimethyl-2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylic acid |
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 | | A1H5F | | Name: | 2-chloranyl-1-[8-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone | | Formula: | C15 H15 Cl F4 N2 O4 S | | SMILES: | Fc1cc(ccc1C(F)(F)F)[S](=O)(=O)N2CCOC3(CN(C3)C(=O)CCl)C2 | | InChi: | InChI=1S/C15H15ClF4N2O4S/c16-6-13(23)21-7-14(8-21)9-22(3-4-26-14)27(24,25)10-1-2-11(12(17)5-10)15(18,19)20/h1-2,5H,3-4,6-9H2 | | Definition date: | 2024-02-28 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 2-chloranyl-1-[8-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone |
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 | | A1H6R | | Name: | (~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol | | Formula: | C17 H28 N2 O S | | SMILES: | O[CH](C1CCCCC1)C2=C(S[CH]3CNCN23)C4CCCC4 | | InChi: | InChI=1S/C17H28N2OS/c20-16(12-6-2-1-3-7-12)15-17(13-8-4-5-9-13)21-14-10-18-11-19(14)15/h12-14,16,18,20H,1-11H2/t14-,16+/m1/s1 | | Definition date: | 2024-03-26 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | (~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol |
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 | | A1H6U | | Name: | (~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol | | Formula: | C14 H18 N2 O | | SMILES: | O[CH](C1CCCCC1)c2cccc3cncn23 | | InChi: | InChI=1S/C14H18N2O/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13/h4,7-11,14,17H,1-3,5-6H2 | | Definition date: | 2024-03-26 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | (~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol |
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 | | A1H6V | | Name: | (~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol | | Formula: | C19 H16 N6 O S | | SMILES: | O[CH](c1cn(nn1)c2ccc3[nH]ccc3c2)c4n5cncc5sc4C6CC6 | | InChi: | InChI=1S/C19H16N6OS/c26-18(17-19(11-1-2-11)27-16-8-20-10-24(16)17)15-9-25(23-22-15)13-3-4-14-12(7-13)5-6-21-14/h3-11,18,21,26H,1-2H2/t18-/m1/s1 | | Definition date: | 2024-03-26 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | (~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol |
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 | | TCA | | Name: | PHENYLETHYLENECARBOXYLIC ACID | | Formula: | C9 H8 O2 | | SMILES: | O=C(O)C=Cc1ccccc1 | | InChi: | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ | | Definition date: | 1999-07-08 | | Last modified: | 2025-02-28 | | Identifier: | (2E)-3-phenylprop-2-enoic acid |
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 | | A1L0Q | | Name: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[4-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol | | Formula: | C24 H19 Cl2 F5 N6 O4 | | SMILES: | Cc1nnc([CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cc(F)c(Cl)c(F)c4)n1c5cc(Cl)ccc5C(F)(F)F | | InChi: | InChI=1S/C24H19Cl2F5N6O4/c1-9-32-34-23(37(9)16-6-11(25)2-3-12(16)24(29,30)31)22-21(40)19(20(39)17(8-38)41-22)36-7-15(33-35-36)10-4-13(27)18(26)14(28)5-10/h2-7,17,19-22,38-40H,8H2,1H3/t17-,19+,20+,21-,22-/m1/s1 | | Definition date: | 2024-04-18 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[4-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol |
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 | | A1L0R | | Name: | 5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione | | Formula: | C24 H19 Br Cl F5 N6 O4 S | | SMILES: | CN1N=C([CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(Br)c(F)c4F)N(C1=S)c5cc(Cl)ccc5C(F)(F)F | | InChi: | InChI=1S/C24H19BrClF5N6O4S/c1-35-23(42)37(14-6-9(26)2-4-11(14)24(29,30)31)22(33-35)21-20(40)18(19(39)15(8-38)41-21)36-7-13(32-34-36)10-3-5-12(25)17(28)16(10)27/h2-7,15,18-21,38-40H,8H2,1H3/t15-,18+,19+,20-,21-/m1/s1 | | Definition date: | 2024-04-18 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione |
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 | | A1L54 | | Name: | Coumarin 153 | | Formula: | C16 H14 F3 N O2 | | SMILES: | FC(F)(F)C1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34 | | InChi: | InChI=1S/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2 | | Synonyms: | 6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraen-4-one | | Definition date: | 2024-11-19 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraen-4-one |
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 | | 86T | | Name: | metyltetraprole | | Formula: | C19 H17 Cl N6 O2 | | SMILES: | CN1N=NN(C1=O)c2cccc(C)c2COc3cnn(c3)c4ccc(Cl)cc4 | | InChi: | InChI=1S/C19H17ClN6O2/c1-13-4-3-5-18(26-19(27)24(2)22-23-26)17(13)12-28-16-10-21-25(11-16)15-8-6-14(20)7-9-15/h3-11H,12H2,1-2H3 | | Synonyms: | 44WE6KNK7M | | Definition date: | 2023-03-17 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 1-[2-[[1-(4-chlorophenyl)pyrazol-4-yl]oxymethyl]-3-methyl-phenyl]-4-methyl-1,2,3,4-tetrazol-5-one |
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 | | ED6 | | Name: | 6-deoxy-1-O-phosphono-beta-L-galactopyranose | | Formula: | C6 H13 O8 P | | SMILES: | OP(O)(OC1OC(C)C(O)C(O)C1O)=O | | InChi: | InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3+,4+,5-,6+/m0/s1 | | Definition date: | 2019-12-11 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 6-deoxy-1-O-phosphono-beta-L-galactopyranose |
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 | | A1AWY | | Name: | 3-bromo-3-oxopropanoic acid | | Formula: | C3 H3 Br O3 | | SMILES: | BrC(=O)CC(=O)O | | InChi: | InChI=1S/C3H3BrO3/c4-2(5)1-3(6)7/h1H2,(H,6,7) | | Definition date: | 2024-07-10 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 3-bromo-3-oxopropanoic acid |
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 | | A1A5V | | Name: | (4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine | | Formula: | C19 H27 N7 O | | SMILES: | COC1CCN(CC1)c1nccc(Nc2cc3n(c(C)cn3n2)C(C)C)n1 | | InChi: | InChI=1S/C19H27N7O/c1-13(2)26-14(3)12-25-18(26)11-17(23-25)21-16-5-8-20-19(22-16)24-9-6-15(27-4)7-10-24/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,20,21,22,23) | | Synonyms: | AUR-3418 | | Definition date: | 2024-09-10 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | (4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine |
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 | | A1AOP | | Name: | 5-fluoro-N-[2-(methanesulfonyl)-4-(pyridin-4-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide | | Formula: | C21 H17 F N2 O4 S3 | | SMILES: | CS(=O)(=O)c1cc(ccc1NS(=O)(=O)c1sc2ccc(F)cc2c1C)c1ccncc1 | | InChi: | InChI=1S/C21H17FN2O4S3/c1-13-17-12-16(22)4-6-19(17)29-21(13)31(27,28)24-18-5-3-15(11-20(18)30(2,25)26)14-7-9-23-10-8-14/h3-12,24H,1-2H3 | | Definition date: | 2024-04-19 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 5-fluoro-N-[2-(methanesulfonyl)-4-(pyridin-4-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide |
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 | | A1AOQ | | Name: | 3-[2-(dimethylamino)-2-oxoethyl]-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-1H-indole-2-carboxylic acid | | Formula: | C22 H19 F N2 O3 S | | SMILES: | CN(C)C(=O)Cc1c2ccccc2n(Cc2csc3ccc(F)cc32)c1C(=O)O | | InChi: | InChI=1S/C22H19FN2O3S/c1-24(2)20(26)10-17-15-5-3-4-6-18(15)25(21(17)22(27)28)11-13-12-29-19-8-7-14(23)9-16(13)19/h3-9,12H,10-11H2,1-2H3,(H,27,28) | | Definition date: | 2024-04-19 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 3-[2-(dimethylamino)-2-oxoethyl]-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-1H-indole-2-carboxylic acid |
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 | | A1AOU | | Name: | 1-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid | | Formula: | C20 H14 F N O2 | | SMILES: | O=C(O)c1cc2ccccc2n1Cc1cccc2ccc(F)cc21 | | InChi: | InChI=1S/C20H14FNO2/c21-16-9-8-13-5-3-6-15(17(13)11-16)12-22-18-7-2-1-4-14(18)10-19(22)20(23)24/h1-11H,12H2,(H,23,24) | | Definition date: | 2024-04-19 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 1-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid |
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 | | A1AOV | | Name: | (3R)-1-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-N-[(2S)-1-{[(1P,8R,10R,14S,21M)-22-ethyl-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methylpyrrolidine-3-carboxamide (non-preferred name) | | Formula: | C56 H76 N8 O7 | | SMILES: | CN(C)C(C)(C)/C=C/C(=O)N1CCC(C1)C(=O)N(C)C(C(C)C)C(=O)NC1Cc2cccc(c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC | | InChi: | InChI=1S/C56H76N8O7/c1-13-63-46-22-21-39-31-42(46)43(50(63)41-19-15-26-57-48(41)36(4)70-12)32-55(5,6)34-71-54(69)44-20-16-27-64(59-44)53(68)45(30-37-17-14-18-38(39)29-37)58-51(66)49(35(2)3)61(11)52(67)40-24-28-62(33-40)47(65)23-25-56(7,8)60(9)10/h14-15,17-19,21-23,25-26,29,31,35-36,40,44-45,49,59H,13,16,20,24,27-28,30,32-34H2,1-12H3,(H,58,66)/b25-23-/t36-,40+,44+,45+,49+/m1/s1 | | Definition date: | 2024-04-19 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | (3R)-1-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-N-[(2S)-1-{[(1P,8R,10R,14S,21M)-22-ethyl-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methylpyrrolidine-3-carboxamide (non-preferred name) |
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 | | A1AOY | | Name: | 5-fluoro-3-methyl-N-[4-(pyridin-4-yl)-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-sulfonamide | | Formula: | C21 H14 F4 N2 O2 S2 | | SMILES: | FC(F)(F)c1cc(ccc1NS(=O)(=O)c1sc2ccc(F)cc2c1C)c1ccncc1 | | InChi: | InChI=1S/C21H14F4N2O2S2/c1-12-16-11-15(22)3-5-19(16)30-20(12)31(28,29)27-18-4-2-14(10-17(18)21(23,24)25)13-6-8-26-9-7-13/h2-11,27H,1H3 | | Definition date: | 2024-04-19 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | 5-fluoro-3-methyl-N-[4-(pyridin-4-yl)-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-sulfonamide |
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 | | A1AOZ | | Name: | (5S)-3-[(S)-[5-fluoro-3-(propan-2-yl)-1H-indol-2-yl](phenyl)methyl]-4-hydroxy-5-(propan-2-yl)-1,5-dihydro-2H-pyrrol-2-one | | Formula: | C25 H27 F N2 O2 | | SMILES: | OC1=C(C(c2ccccc2)c2[NH]c3ccc(F)cc3c2C(C)C)C(=O)NC1C(C)C | | InChi: | InChI=1S/C25H27FN2O2/c1-13(2)19-17-12-16(26)10-11-18(17)27-23(19)20(15-8-6-5-7-9-15)21-24(29)22(14(3)4)28-25(21)30/h5-14,20,22,27,29H,1-4H3,(H,28,30)/t20-,22+/m0/s1 | | Definition date: | 2024-04-19 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | (5S)-3-[(S)-[5-fluoro-3-(propan-2-yl)-1H-indol-2-yl](phenyl)methyl]-4-hydroxy-5-(propan-2-yl)-1,5-dihydro-2H-pyrrol-2-one |
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 | | A1BCU | | Name: | (2R,3R,4R)-3,4-dihydroxy-5-oxooxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | Formula: | C14 H20 N2 O16 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OCC(=O)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C14H20N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,6,8-13,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t6-,8+,9-,10-,11-,12-,13-/m1/s1 | | Synonyms: | Uridine-diphosphate-4-keto-D-xylose | | Definition date: | 2024-10-06 | | Last modified: | 2025-02-28 | | Release date: | 2025-03-05 | | Identifier: | (2R,3R,4R)-3,4-dihydroxy-5-oxooxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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