2-{[(pyridin-2-yl)methyl]thio}-1H-benzimidazole

• 常用名: 2-{[(pyridin-2-yl)methyl]thio}-1H-benzimidazole
• 英文名: 2-{[(pyridin-2-yl)methyl]thio}-1H-benzimidazole
• CAS号: 23593-22-8
• 分子量: 241.31200
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₃H₁₁N₃S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: 2-{[(pyridin-2-yl)methyl]thio}-1H-benzimidazole

物理化学性质

• 分子式: C₁₃H₁₁N₃S
• 分子量: 241.31200
• 精确质量: 241.06700
• PSA: 66.87000
• LogP: 3.25020
• InChIKey: PLITYYGQMDTHMM-UHFFFAOYSA-N
• SMILES: c1ccc(CSc2nc3ccccc3[nH]2)nc1

靶点实验

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实验名称：Lipophilicity (log Ko) 来源：ChEMBL 靶标：N/A External Id：CHEMBL635341

实验名称：Half life in human liver microsomes by LC-MS/MS analysis 来源：ChEMBL 靶标：Liver microsomes External Id：CHEMBL2020725

实验名称：Apparent intrinsic clearance in human liver microsomes by LC-MS/MS analysis 来源：ChEMBL 靶标：Liver microsomes External Id：CHEMBL2020726

实验名称：Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate prein... 来源：ChEMBL 靶标：Cytochrome P450 2E1 External Id：CHEMBL2020723

实验名称：Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincuba... 来源：ChEMBL 靶标：Cytochrome P450 3A4 External Id：CHEMBL2020724

实验名称：ASTRAZENECA: Most basic pKa value (pKa B1) determined by absorption and potentiometri... 来源：ChEMBL 靶标：N/A External Id：CHEMBL3301362

实验名称：Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu... 来源：15621 靶标：G protein-activated inward rectifier potassium channel 2 External Id：VANDERBILT_HTS_GIRK2_HPP

实验名称：Inhibition of CYP1A2 in human liver microsomes using phenacetin preincubated for 5 mi... 来源：ChEMBL 靶标：Cytochrome P450 1A2 External Id：CHEMBL2020672

实验名称：Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincuba... 来源：ChEMBL 靶标：Cytochrome P450 2B6 External Id：CHEMBL2020718

实验名称：Inhibition of recombinant CYP2C19 using 3-O-methylfluorescein as substrate preincubat... 来源：ChEMBL 靶标：Cytochrome P450 2C19 External Id：CHEMBL2020670

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英文别名

• 2-[[(2-pyridinyl)methyl]thio]-1H-benzimidazole
• 2-(2-pyridinylmethylthio)-1H-benzimidazole
• 2-pyridin-2-ylmethylsulfanyl-1H-benzoimidazole
• 2-[pyridin-2-ylmethylthio]-benzimidazole
• 2-[pyridin-2-ylmethylthio]benzimidazole
• 2-(2-pyridinyl)methylthiobenzimidazole