1,1,1-trifluoro-N-(3-phenylsulfanylpyridin-4-yl)methanesulfonamide结构式
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常用名 | 1,1,1-trifluoro-N-(3-phenylsulfanylpyridin-4-yl)methanesulfonamide | 英文名 | 1,1,1-trifluoro-N-(3-phenylsulfanylpyridin-4-yl)methanesulfonamide |
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| CAS号 | 509076-59-9 | 分子量 | 334.33700 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C12H9F3N2O2S2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 英文名 | 1,1,1-trifluoro-N-(3-phenylsulfanylpyridin-4-yl)methanesulfonamide |
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| 分子式 | C12H9F3N2O2S2 |
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| 分子量 | 334.33700 |
| 精确质量 | 334.00600 |
| PSA | 95.97000 |
| LogP | 3.99700 |
| InChIKey | ALOKHRRVYXMQQV-UHFFFAOYSA-N |
| SMILES | O=S(=O)(Nc1ccncc1Sc1ccccc1)C(F)(F)F |
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1,1,1-trifluoro... 509076-59-9 |
| 文献:Julemont, Fabien; De Leval, Xavier; Michaux, Catherine; Renard, Jean-Francois; Winum, Jean-Yves; Montero, Jean-Louis; Damas, Jacques; Dogne, Jean-Michel; Pirotte, Bernard Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6749 - 6759 |
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~%
1,1,1-trifluoro... 509076-59-9 |
| 文献:Julemont, Fabien; De Leval, Xavier; Michaux, Catherine; Renard, Jean-Francois; Winum, Jean-Yves; Montero, Jean-Louis; Damas, Jacques; Dogne, Jean-Michel; Pirotte, Bernard Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6749 - 6759 |
|
~%
1,1,1-trifluoro... 509076-59-9 |
| 文献:Julemont, Fabien; De Leval, Xavier; Michaux, Catherine; Renard, Jean-Francois; Winum, Jean-Yves; Montero, Jean-Louis; Damas, Jacques; Dogne, Jean-Michel; Pirotte, Bernard Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6749 - 6759 |
|
~%
1,1,1-trifluoro... 509076-59-9 |
| 文献:Julemont, Fabien; De Leval, Xavier; Michaux, Catherine; Renard, Jean-Francois; Winum, Jean-Yves; Montero, Jean-Louis; Damas, Jacques; Dogne, Jean-Michel; Pirotte, Bernard Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6749 - 6759 |
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实验名称:Dissociation constant, pKa by sulfonamide/sulfonamidate equilibrium
来源:ChEMBL
靶标:N/A
External Id:CHEMBL916308
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实验名称:Dissociation constant, pKa by pyridinium/pyridine equilibrium
来源:ChEMBL
靶标:N/A
External Id:CHEMBL916309
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实验名称:Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2...
来源:ChEMBL
靶标:Prostaglandin G/H synthase 2
External Id:CHEMBL916302
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实验名称:Selectivity ratio of IC50 for human COX1 to IC50 for human COX2
来源:ChEMBL
靶标:N/A
External Id:CHEMBL916303
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实验名称:Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A...
来源:ChEMBL
靶标:Prostaglandin G/H synthase 1
External Id:CHEMBL916301
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