 | | Y8B | | Name: | 2,4,6-trimethyl-~{N}-[1-(phenylmethyl)benzimidazol-5-yl]benzenesulfonamide | | Formula: | C23 H23 N3 O2 S | | SMILES: | Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)cnc3c2 | | InChi: | InChI=1S/C23H23N3O2S/c1-16-11-17(2)23(18(3)12-16)29(27,28)25-20-9-10-22-21(13-20)24-15-26(22)14-19-7-5-4-6-8-19/h4-13,15,25H,14H2,1-3H3 | | Definition date: | 2023-11-28 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | 2,4,6-trimethyl-~{N}-[1-(phenylmethyl)benzimidazol-5-yl]benzenesulfonamide |
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 | | DISEP | | Name: | DIPHOSPHOSERINE | | Formula: | C3 H9 N O9 P2 | | SMILES: | N[CH](CO[P](O)(=O)O[P](O)(O)=O)C(O)=O | | InChi: | InChI=1S/C3H9NO9P2/c4-2(3(5)6)1-12-15(10,11)13-14(7,8)9/h2H,1,4H2,(H,5,6)(H,10,11)(H2,7,8,9)/t2-/m0/s1 | | Synonyms: | 2-azanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | 2-azanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propanoic acid |
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 | | A1BAA | | Name: | 2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol | | Formula: | C12 H18 N4 O | | SMILES: | CCC(CC)(CO)Nc1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C12H18N4O/c1-3-12(4-2,7-17)16-11-9-5-6-13-10(9)14-8-15-11/h5-6,8,17H,3-4,7H2,1-2H3,(H2,13,14,15,16) | | Definition date: | 2024-09-24 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | 2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol |
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 | | A1BAB | | Name: | (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol | | Formula: | C17 H18 N4 O | | SMILES: | OCC(Nc1ncnc2[NH]ccc21)C1CCc2ccccc21 | | InChi: | InChI=1S/C17H18N4O/c22-9-15(13-6-5-11-3-1-2-4-12(11)13)21-17-14-7-8-18-16(14)19-10-20-17/h1-4,7-8,10,13,15,22H,5-6,9H2,(H2,18,19,20,21)/t13-,15+/m1/s1 | | Definition date: | 2024-09-24 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol |
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 | | A1BAE | | Name: | (2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol | | Formula: | C14 H15 N5 O | | SMILES: | OCC(Cc1ccccn1)Nc1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C14H15N5O/c20-8-11(7-10-3-1-2-5-15-10)19-14-12-4-6-16-13(12)17-9-18-14/h1-6,9,11,20H,7-8H2,(H2,16,17,18,19)/t11-/m0/s1 | | Definition date: | 2024-09-24 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | (2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol |
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 | | A1BAQ | | Name: | [(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol | | Formula: | C13 H18 N4 O | | SMILES: | OCC1CC(C)CCN1c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C13H18N4O/c1-9-3-5-17(10(6-9)7-18)13-11-2-4-14-12(11)15-8-16-13/h2,4,8-10,18H,3,5-7H2,1H3,(H,14,15,16)/t9-,10+/m0/s1 | | Definition date: | 2024-09-25 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | [(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol |
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 | | A1BAR | | Name: | [(2R,5S)-5-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol | | Formula: | C13 H18 N4 O | | SMILES: | OCC1CCC(C)CN1c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C13H18N4O/c1-9-2-3-10(7-18)17(6-9)13-11-4-5-14-12(11)15-8-16-13/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,14,15,16)/t9-,10+/m0/s1 | | Definition date: | 2024-09-25 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | [(2R,5S)-5-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol |
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 | | A1BAU | | Name: | (1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol | | Formula: | C14 H20 N4 O2 | | SMILES: | OC1CCC(O)(CC1)CNc1ncnc2[NH]cc(C)c21 | | InChi: | InChI=1S/C14H20N4O2/c1-9-6-15-12-11(9)13(18-8-17-12)16-7-14(20)4-2-10(19)3-5-14/h6,8,10,19-20H,2-5,7H2,1H3,(H2,15,16,17,18)/t10-,14- | | Definition date: | 2024-09-25 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | (1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol |
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 | | A1BAV | | Name: | 4-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol | | Formula: | C13 H18 N4 O2 | | SMILES: | OC1(CNc2ncnc3[NH]cc(C)c32)CCOCC1 | | InChi: | InChI=1S/C13H18N4O2/c1-9-6-14-11-10(9)12(17-8-16-11)15-7-13(18)2-4-19-5-3-13/h6,8,18H,2-5,7H2,1H3,(H2,14,15,16,17) | | Definition date: | 2024-09-25 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | 4-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol |
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 | | A1BAY | | Name: | 2-[(2R)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol | | Formula: | C15 H22 N4 O | | SMILES: | CC(C)(O)C1N(CCC1(C)C)c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C15H22N4O/c1-14(2)6-8-19(13(14)15(3,4)20)12-10-5-7-16-11(10)17-9-18-12/h5,7,9,13,20H,6,8H2,1-4H3,(H,16,17,18)/t13-/m1/s1 | | Definition date: | 2024-09-25 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | 2-[(2R)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol |
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 | | A1BAZ | | Name: | 2-[(2S)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol | | Formula: | C15 H22 N4 O | | SMILES: | CC(C)(O)C1N(CCC1(C)C)c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C15H22N4O/c1-14(2)6-8-19(13(14)15(3,4)20)12-10-5-7-16-11(10)17-9-18-12/h5,7,9,13,20H,6,8H2,1-4H3,(H,16,17,18)/t13-/m0/s1 | | Definition date: | 2024-09-25 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | 2-[(2S)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol |
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 | | A1BBQ | | Name: | 4-{[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol | | Formula: | C13 H18 N4 O2 | | SMILES: | OC1(CN(C)c2ncnc3[NH]ccc32)CCOCC1 | | InChi: | InChI=1S/C13H18N4O2/c1-17(8-13(18)3-6-19-7-4-13)12-10-2-5-14-11(10)15-9-16-12/h2,5,9,18H,3-4,6-8H2,1H3,(H,14,15,16) | | Definition date: | 2024-10-01 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | 4-{[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol |
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 | | A1BBR | | Name: | [(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol | | Formula: | C14 H20 N4 O | | SMILES: | OCC1CC(C)(C)CCN1c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C14H20N4O/c1-14(2)4-6-18(10(7-14)8-19)13-11-3-5-15-12(11)16-9-17-13/h3,5,9-10,19H,4,6-8H2,1-2H3,(H,15,16,17)/t10-/m0/s1 | | Definition date: | 2024-10-01 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | [(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol |
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 | | A1BBU | | Name: | 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C14 H20 N4 | | SMILES: | CC(C)(C)C1CCCN1c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C14H20N4/c1-14(2,3)11-5-4-8-18(11)13-10-6-7-15-12(10)16-9-17-13/h6-7,9,11H,4-5,8H2,1-3H3,(H,15,16,17)/t11-/m1/s1 | | Definition date: | 2024-10-01 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
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 | | A1BBY | | Name: | (2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol | | Formula: | C10 H14 N4 O | | SMILES: | CC(O)C(C)Nc1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7+/m1/s1 | | Definition date: | 2024-10-01 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | (2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol |
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 | | A1BBZ | | Name: | (2R,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol | | Formula: | C10 H14 N4 O | | SMILES: | CC(O)C(C)Nc1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7-/m1/s1 | | Definition date: | 2024-10-01 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | (2R,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol |
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 | | A1BCE | | Name: | (1r,4r)-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol | | Formula: | C13 H18 N4 O2 | | SMILES: | OC1CCC(O)(CC1)CNc1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C13H18N4O2/c18-9-1-4-13(19,5-2-9)7-15-12-10-3-6-14-11(10)16-8-17-12/h3,6,8-9,18-19H,1-2,4-5,7H2,(H2,14,15,16,17)/t9-,13- | | Definition date: | 2024-10-03 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | (1r,4r)-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol |
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 | | A1BLY | | Name: | nonadecafluorodecanoic acid | | Formula: | C10 H F19 O2 | | SMILES: | FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | | InChi: | InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31) | | Definition date: | 2024-12-17 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | nonadecafluorodecanoic acid |
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 | | A1BM9 | | Name: | hentriacontafluorohexadecanoic acid | | Formula: | C16 H F31 O2 | | SMILES: | FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | | InChi: | InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49) | | Definition date: | 2025-01-02 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | hentriacontafluorohexadecanoic acid |
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 | | A1A5A | | Name: | (2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol | | Formula: | C15 H16 N4 O | | SMILES: | OCC(Cc1ccccc1)Nc1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C15H16N4O/c20-9-12(8-11-4-2-1-3-5-11)19-15-13-6-7-16-14(13)17-10-18-15/h1-7,10,12,20H,8-9H2,(H2,16,17,18,19)/t12-/m1/s1 | | Definition date: | 2024-09-09 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | (2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol |
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 | | A1A5B | | Name: | 3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid | | Formula: | C13 H9 N O5 S | | SMILES: | O=C(Nc1ccsc1C(=O)O)c1ccc2OCOc2c1 | | InChi: | InChI=1S/C13H9NO5S/c15-12(14-8-3-4-20-11(8)13(16)17)7-1-2-9-10(5-7)19-6-18-9/h1-5H,6H2,(H,14,15)(H,16,17) | | Definition date: | 2024-09-09 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | 3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid |
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 | | A1A5E | | Name: | (2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid | | Formula: | C14 H16 N2 O4 | | SMILES: | O=C(O)C(C)CNC(=O)c1ccc2NC(=O)CCc2c1 | | InChi: | InChI=1S/C14H16N2O4/c1-8(14(19)20)7-15-13(18)10-2-4-11-9(6-10)3-5-12(17)16-11/h2,4,6,8H,3,5,7H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t8-/m0/s1 | | Definition date: | 2024-09-09 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | (2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid |
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 | | A1A5F | | Name: | (2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide | | Formula: | C17 H20 N4 O2 | | SMILES: | Cc1ccc2OC(CCc2c1)C(=O)Nc1nnc2CCCCn21 | | InChi: | InChI=1S/C17H20N4O2/c1-11-5-7-13-12(10-11)6-8-14(23-13)16(22)18-17-20-19-15-4-2-3-9-21(15)17/h5,7,10,14H,2-4,6,8-9H2,1H3,(H,18,20,22)/t14-/m0/s1 | | Definition date: | 2024-09-09 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | (2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide |
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 | | A1A5X | | Name: | 4-fluoro-3-({[1-(propan-2-yl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1-benzothiophene-2-carboxylic acid | | Formula: | C14 H13 F N4 O2 S2 | | SMILES: | CC(C)n1nnnc1SCc1c2c(F)cccc2sc1C(=O)O | | InChi: | InChI=1S/C14H13FN4O2S2/c1-7(2)19-14(16-17-18-19)22-6-8-11-9(15)4-3-5-10(11)23-12(8)13(20)21/h3-5,7H,6H2,1-2H3,(H,20,21) | | Definition date: | 2024-09-10 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | 4-fluoro-3-({[1-(propan-2-yl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1-benzothiophene-2-carboxylic acid |
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 | | A1A5Y | | Name: | (8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid | | Formula: | C20 H23 F N2 O4 | | SMILES: | O=C1CCc2cc(c(F)cc2N1)C(=O)N1CC(CCC21CCCC2)C(=O)O | | InChi: | InChI=1S/C20H23FN2O4/c21-15-10-16-12(3-4-17(24)22-16)9-14(15)18(25)23-11-13(19(26)27)5-8-20(23)6-1-2-7-20/h9-10,13H,1-8,11H2,(H,22,24)(H,26,27)/t13-/m1/s1 | | Definition date: | 2024-09-10 | | Last modified: | 2025-06-06 | | Release date: | 2025-06-11 | | Identifier: | (8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid |
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