1,3-Benzodioxole-5-butanenitrile,a-(3,4-dimethoxyphenyl)-g-oxo结构式
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常用名 | 1,3-Benzodioxole-5-butanenitrile,a-(3,4-dimethoxyphenyl)-g-oxo | 英文名 | 1,3-Benzodioxole-5-butanenitrile,a-(3,4-dimethoxyphenyl)-g-oxo |
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| CAS号 | 54022-58-1 | 分子量 | 339.34200 | |
| 密度 | 1.266g/cm3 | 沸点 | 562.2ºC at 760 mmHg | |
| 分子式 | C19H17NO5 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 241.6ºC |
| 英文名 | 4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile |
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| 密度 | 1.266g/cm3 |
|---|---|
| 沸点 | 562.2ºC at 760 mmHg |
| 分子式 | C19H17NO5 |
| 分子量 | 339.34200 |
| 闪点 | 241.6ºC |
| 精确质量 | 339.11100 |
| PSA | 77.78000 |
| LogP | 3.31268 |
| InChIKey | DATWEMXHHHBSKR-UHFFFAOYSA-N |
| SMILES | COc1ccc(C(C#N)CC(=O)c2ccc3c(c2)OCO3)cc1OC |
| 折射率 | 1.582 |
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1,3-Benzodioxol... 54022-58-1 |
| 文献:Gopinath et al. Journal of the Chemical Society, 1959 , p. 4012 Full Text Show Details Arthur; Ng Journal of the Chemical Society, 1959 , p. 4010 |
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~%
1,3-Benzodioxol... 54022-58-1 |
| 文献:Ishii, Hisashi; Ishikawa, Tsutomu; Chen, Ih-Sheng; Ichikawa, Yuh-Ichiro Heterocycles, 1984 , vol. 21, # 2 p. 711 |
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~%
1,3-Benzodioxol... 54022-58-1 |
| 文献:Ishii, Hisashi; Ishikawa, Tsutomu; Chen, Ih-Sheng; Ichikawa, Yuh-Ichiro Heterocycles, 1984 , vol. 21, # 2 p. 711 |
|
~%
1,3-Benzodioxol... 54022-58-1 |
| 文献:Ishii, Hisashi; Ishikawa, Tsutomu; Chen, Ih-Sheng; Ichikawa, Yuh-Ichiro Heterocycles, 1984 , vol. 21, # 2 p. 711 |
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~%
1,3-Benzodioxol... 54022-58-1 |
| 文献:Richardson et al. Journal of the Chemical Society, 1937 , p. 835,839 |
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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实验名称:High Throughput Screen to Identify Inhibitors Targeting HIV-1 Vif-dependent Degradati...
来源:Southern Research Institute
靶标:HIV-1 Vif
External Id:HIV1-VIF_MS
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