 | | IUQ | | Name: | 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine | | Formula: | C11 H14 Cl N5 O | | SMILES: | CNc1nc(Cl)nc2n(cnc12)[CH]3CCCCO3 | | InChi: | InChI=1S/C11H14ClN5O/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3,(H,13,15,16) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine |
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 | | IUZ | | Name: | 2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine | | Formula: | C13 H18 Cl N5 | | SMILES: | CNc1nc(Cl)nc2n(CC3CCCCC3)cnc12 | | InChi: | InChI=1S/C13H18ClN5/c1-15-11-10-12(18-13(14)17-11)19(8-16-10)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,17,18) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine |
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 | | IV6 | | Name: | 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid | | Formula: | C13 H10 Cl N5 O2 | | SMILES: | CNc1nc(Cl)nc2n(cnc12)c3cccc(c3)C(O)=O | | InChi: | InChI=1S/C13H10ClN5O2/c1-15-10-9-11(18-13(14)17-10)19(6-16-9)8-4-2-3-7(5-8)12(20)21/h2-6H,1H3,(H,20,21)(H,15,17,18) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid |
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 | | IVI | | Name: | 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide | | Formula: | C14 H13 Cl N6 O | | SMILES: | CNc1nc(Cl)nc2n(CC(=O)Nc3ccccc3)cnc12 | | InChi: | InChI=1S/C14H13ClN6O/c1-16-12-11-13(20-14(15)19-12)21(8-17-11)7-10(22)18-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,18,22)(H,16,19,20) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide |
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 | | IVR | | Name: | 9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine | | Formula: | C13 H13 Cl N6 | | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3N)cnc12 | | InChi: | InChI=1S/C13H13ClN6/c1-16-11-10-12(19-13(14)18-11)20(7-17-10)6-8-4-2-3-5-9(8)15/h2-5,7H,6,15H2,1H3,(H,16,18,19) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine |
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 | | IW0 | | Name: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide | | Formula: | C14 H15 Cl N6 O2 S | | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3N[S](C)(=O)=O)cnc12 | | InChi: | InChI=1S/C14H15ClN6O2S/c1-16-12-11-13(19-14(15)18-12)21(8-17-11)7-9-5-3-4-6-10(9)20-24(2,22)23/h3-6,8,20H,7H2,1-2H3,(H,16,18,19) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide |
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 | | IWF | | Name: | 2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine | | Formula: | C14 H14 Cl N5 O | | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3OC)cnc12 | | InChi: | InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-5-3-4-6-10(9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine |
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 | | IWM | | Name: | 9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine | | Formula: | C14 H12 Cl F2 N5 | | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3C(F)F)cnc12 | | InChi: | InChI=1S/C14H12ClF2N5/c1-18-12-10-13(21-14(15)20-12)22(7-19-10)6-8-4-2-3-5-9(8)11(16)17/h2-5,7,11H,6H2,1H3,(H,18,20,21) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine |
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 | | IWV | | Name: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide | | Formula: | C15 H12 Cl F3 N6 O | | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3NC(=O)C(F)(F)F)cnc12 | | InChi: | InChI=1S/C15H12ClF3N6O/c1-20-11-10-12(24-14(16)23-11)25(7-21-10)6-8-4-2-3-5-9(8)22-13(26)15(17,18)19/h2-5,7H,6H2,1H3,(H,22,26)(H,20,23,24) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide |
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 | | IYQ | | Name: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide | | Formula: | C14 H13 Cl N6 O | | SMILES: | CNc1nc(Cl)nc2n(Cc3cccc(c3)C(N)=O)cnc12 | | InChi: | InChI=1S/C14H13ClN6O/c1-17-12-10-13(20-14(15)19-12)21(7-18-10)6-8-3-2-4-9(5-8)11(16)22/h2-5,7H,6H2,1H3,(H2,16,22)(H,17,19,20) | | Definition date: | 2023-08-04 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide |
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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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 | | 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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 | | U1X | | Name: | N-phenylpyrrolidine-1-carboxamide | | Formula: | C11 H14 N2 O | | SMILES: | O=C(Nc1ccccc1)N1CCCC1 | | InChi: | InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14) | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-phenylpyrrolidine-1-carboxamide |
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 | | U29 | | Name: | methyl (5S)-1-acetyl-5-methyl-L-prolinate | | Formula: | C9 H15 N O3 | | SMILES: | CC1CCC(C(=O)OC)N1C(=O)C | | InChi: | InChI=1S/C9H15NO3/c1-6-4-5-8(9(12)13-3)10(6)7(2)11/h6,8H,4-5H2,1-3H3/t6-,8-/m0/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | methyl (5S)-1-acetyl-5-methyl-L-prolinate |
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 | | U2R | | Name: | (4-fluorophenoxy)acetic acid | | Formula: | C8 H7 F O3 | | SMILES: | O=C(O)COc1ccc(F)cc1 | | InChi: | InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4-fluorophenoxy)acetic acid |
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 | | XI3 | | Name: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide | | Formula: | C27 H25 F N6 O S | | SMILES: | Cc1ccc(cc1F)n1cc2c(n1)ncnc2N1CCCC(C1)C(=O)NCc1cc2ccsc2cc1 | | InChi: | InChI=1S/C27H25FN6OS/c1-17-4-6-21(12-23(17)28)34-15-22-25(32-34)30-16-31-26(22)33-9-2-3-20(14-33)27(35)29-13-18-5-7-24-19(11-18)8-10-36-24/h4-8,10-12,15-16,20H,2-3,9,13-14H2,1H3,(H,29,35)/t20-/m0/s1 | | Definition date: | 2022-11-21 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide |
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 | | W5W | | Name: | (1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione | | Formula: | C18 H20 O7 | | SMILES: | CO[C]1(C)[CH](O)C(=O)C(=C2OC(=O)c3c(C)cc(O)c(C)c3O[CH]12)C | | InChi: | InChI=1S/C18H20O7/c1-7-6-10(19)8(2)13-11(7)17(22)25-14-9(3)12(20)15(21)18(4,23-5)16(14)24-13/h6,15-16,19,21H,1-5H3/t15-,16+,18+/m1/s1 | | Definition date: | 2023-05-03 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (1~{S},2~{S},11~{a}~{S})-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11~{a}-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione |
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 | | QUF | | Name: | ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | Formula: | C27 H19 F6 N7 O | | SMILES: | Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)nc(nc12)c5cccnc5 | | InChi: | InChI=1S/C27H19F6N7O/c1-14-5-6-15(25(41)36-19-10-17(26(28,29)30)9-18(11-19)27(31,32)33)8-21(14)37-23-20-13-35-40(2)24(20)39-22(38-23)16-4-3-7-34-12-16/h3-13H,1-2H3,(H,36,41)(H,37,38,39) | | Definition date: | 2022-11-15 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide |
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 | | U3C | | Name: | N-(6-methylpyridin-2-yl)-D-prolinamide | | Formula: | C11 H15 N3 O | | SMILES: | O=C(Nc1cccc(C)n1)C1CCCN1 | | InChi: | InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m1/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | N-(6-methylpyridin-2-yl)-D-prolinamide |
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 | | XJ5 | | Name: | [(4S)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,7S)-3-methyl-5-phenyladamantan-1-yl]methanone | | Formula: | C25 H36 N2 O | | SMILES: | CC1(C)CN(CCC1N)C(=O)C12CC3CC(CC(C)(C3)C1)(C2)c1ccccc1 | | InChi: | InChI=1S/C25H36N2O/c1-22(2)17-27(10-9-20(22)26)21(28)25-13-18-11-23(3,15-25)14-24(12-18,16-25)19-7-5-4-6-8-19/h4-8,18,20H,9-17,26H2,1-3H3/t18-,20-,23+,24+,25-/m0/s1 | | Definition date: | 2022-11-22 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [(4S)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,7S)-3-methyl-5-phenyladamantan-1-yl]methanone |
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 | | SVI | | Name: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine | | Formula: | C5 H4 N4 | | SMILES: | c1cncc2nncn12 | | InChi: | InChI=1S/C5H4N4/c1-2-9-4-7-8-5(9)3-6-1/h1-4H | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (4S)-[1,2,4]triazolo[4,3-a]pyrazine |
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 | | YWK | | Name: | pentafluoropropanoic acid | | Formula: | C3 H F5 O2 | | SMILES: | FC(F)(F)C(F)(F)C(=O)O | | InChi: | InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10) | | Definition date: | 2023-06-22 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | pentafluoropropanoic acid |
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 | | U3R | | Name: | (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid | | Formula: | C13 H15 N O3 | | SMILES: | OC(=O)C1CN(CC1c1ccccc1)C(=O)C | | InChi: | InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m1/s1 | | Definition date: | 2023-08-29 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid |
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 | | SVU | | Name: | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine | | Formula: | C7 H13 N3 | | SMILES: | CCn1ccc(CNC)n1 | | InChi: | InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine |
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