 | | TQC | | Name: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole | | Formula: | C10 H12 N4 O | | SMILES: | Cn1ccnc1c1nc(on1)C1CCC1 | | InChi: | InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole |
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 | | TE0 | | Name: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid | | Formula: | C8 H15 N O4 S | | SMILES: | O=S(=O)(CC)N1CCC(CC1)C(=O)O | | InChi: | InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid |
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 | | TT3 | | Name: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide | | Formula: | C10 H12 F N O2 | | SMILES: | CN(C)C(=O)COc1cccc(F)c1 | | InChi: | InChI=1S/C10H12FNO2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide |
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 | | K1L | | Name: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one | | Formula: | C21 H24 F N9 O11 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)N=CNc67 | | InChi: | InChI=1S/C21H24FN9O11P2/c22-11-16-10(40-21(11)31-7-28-12-17(23)24-4-25-18(12)31)3-39-44(36,37)41-15-8(2-38-43(34,35)42-16)1-9(14(15)32)30-6-29-13-19(30)26-5-27-20(13)33/h4-11,14-16,21,32H,1-3H2,(H,34,35)(H,36,37)(H2,23,24,25)(H,26,27,33)/t8-,9-,10-,11-,14+,15-,16-,21-/m1/s1 | | Definition date: | 2022-05-16 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one |
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 | | TU6 | | Name: | [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol | | Formula: | C11 H17 N3 O | | SMILES: | Cc1cc(nc(CO)n1)N1CCCCC1 | | InChi: | InChI=1S/C11H17N3O/c1-9-7-11(13-10(8-15)12-9)14-5-3-2-4-6-14/h7,15H,2-6,8H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol |
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 | | TV9 | | Name: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide | | Formula: | C11 H14 N2 O | | SMILES: | CC(NC(=O)C1CC1)c1cccnc1 | | InChi: | InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide |
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 | | K43 | | Name: | 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine | | Formula: | C22 H26 F2 N10 O8 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | | InChi: | InChI=1S/C22H26F2N10O8P2/c23-13-11(33-7-31-15-19(25)27-5-29-21(15)33)1-9-3-39-43(35,36)42-18-10(4-40-44(37,38)41-17(9)13)2-12(14(18)24)34-8-32-16-20(26)28-6-30-22(16)34/h5-14,17-18H,1-4H2,(H,35,36)(H,37,38)(H2,25,27,29)(H2,26,28,30)/t9-,10-,11-,12-,13+,14+,17-,18-/m1/s1 | | Synonyms: | 3',3'-c-di-(2'F,2'dAMP) | | Definition date: | 2022-05-19 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine |
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 | | TWC | | Name: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one | | Formula: | C6 H7 F3 N2 O | | SMILES: | FC(F)(F)C=1CC(=O)N(CC)N=1 | | InChi: | InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h2-3H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
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 | | TI6 | | Name: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol | | Formula: | C8 H17 N O3 S | | SMILES: | CC1CCCN(C1CO)S(=O)(C)=O | | InChi: | InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol |
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 | | TWR | | Name: | 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide | | Formula: | C10 H13 F N2 O2 | | SMILES: | CN(C)C(=O)COc1ccc(N)c(F)c1 | | InChi: | InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide |
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 | | TX0 | | Name: | thiophene-3-carboxylic acid | | Formula: | C5 H4 O2 S | | SMILES: | O=C(O)c1ccsc1 | | InChi: | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | thiophene-3-carboxylic acid |
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 | | TJ0 | | Name: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one | | Formula: | C12 H11 F3 N2 O2 | | SMILES: | O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F | | InChi: | InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one |
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 | | TJA | | Name: | (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine | | Formula: | C6 H10 N4 | | SMILES: | Cc1nnc2CNCCn12 | | InChi: | InChI=1S/C6H10N4/c1-5-8-9-6-4-7-2-3-10(5)6/h7H,2-4H2,1H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine |
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 | | TJL | | Name: | 4-(1,2,4-oxadiazol-5-yl)aniline | | Formula: | C8 H7 N3 O | | SMILES: | Nc1ccc(cc1)c1ncno1 | | InChi: | InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-(1,2,4-oxadiazol-5-yl)aniline |
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 | | TJX | | Name: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine | | Formula: | C8 H9 N3 | | SMILES: | NCc1cc2nccn2cc1 | | InChi: | InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine |
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 | | SQT | | Name: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | | Formula: | C16 H19 N5 | | SMILES: | N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1 | | InChi: | InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide |
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 | | TKM | | Name: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid | | Formula: | C9 H12 N2 O3 | | SMILES: | O=C(O)c1ccnn1C1CCOCC1 | | InChi: | InChI=1S/C9H12N2O3/c12-9(13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H,12,13) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid |
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 | | TZ9 | | Name: | 6,8-bis(fluoranyl)chromene | | Formula: | C9 H6 F2 O | | SMILES: | Fc1cc(F)c2OCC=Cc2c1 | | InChi: | InChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 6,8-difluoro-2H-1-benzopyran |
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 | | K7L | | Name: | (4S)-imidazo[1,2-a]pyrimidine-5,7-diol | | Formula: | C6 H5 N3 O2 | | SMILES: | Oc1nc2nccn2c(O)c1 | | InChi: | InChI=1S/C6H5N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3,11H,(H,7,8,10) | | Definition date: | 2023-08-10 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4S)-imidazo[1,2-a]pyrimidine-5,7-diol |
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 | | TZR | | Name: | 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one | | Formula: | C13 H17 N O2 | | SMILES: | OCC1CN(CC1c1ccccc1)C(=O)C | | InChi: | InChI=1S/C13H17NO2/c1-10(16)14-7-12(9-15)13(8-14)11-5-3-2-4-6-11/h2-6,12-13,15H,7-9H2,1H3/t12-,13+/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one |
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 | | TM0 | | Name: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine | | Formula: | C11 H13 N3 O | | SMILES: | CC(N)c1nc(Cc2ccccc2)no1 | | InChi: | InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3/t8-/m1/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine |
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 | | U0O | | Name: | 5-iodo-1H-imidazole | | Formula: | C3 H3 I N2 | | SMILES: | Ic1cnc[NH]1 | | InChi: | InChI=1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6) | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 5-iodo-1H-imidazole |
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 | | ST0 | | Name: | N-cyclopentyloxane-4-sulfonamide | | Formula: | C10 H19 N O3 S | | SMILES: | O=S(=O)(NC1CCCC1)C1CCOCC1 | | InChi: | InChI=1S/C10H19NO3S/c12-15(13,10-5-7-14-8-6-10)11-9-3-1-2-4-9/h9-11H,1-8H2 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-cyclopentyloxane-4-sulfonamide |
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 | | VLF | | Name: | 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide | | Formula: | C17 H19 N O4 S | | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CO | | InChi: | InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)18-16(17(20)12-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1 | | Definition date: | 2023-03-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide |
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 | | U1I | | Name: | methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate | | Formula: | C13 H17 N O2 | | SMILES: | COC(=O)C1(CCNC1)c1ccc(C)cc1 | | InChi: | InChI=1S/C13H17NO2/c1-10-3-5-11(6-4-10)13(12(15)16-2)7-8-14-9-13/h3-6,14H,7-9H2,1-2H3/t13-/m0/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate |
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