5-hydroxy-2,4-dimethyl-2-octylthiophen-3-one
5-hydroxy-2,4-dimethyl-2-octylthiophen-3-one结构式
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常用名 | 5-hydroxy-2,4-dimethyl-2-octylthiophen-3-one | 英文名 | 5-hydroxy-2,4-dimethyl-2-octylthiophen-3-one |
|---|---|---|---|---|
| CAS号 | 348113-81-5 | 分子量 | 256.40400 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C14H24O2S | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 英文名 | 5-hydroxy-2,4-dimethyl-2-octylthiophen-3-one |
|---|
| 分子式 | C14H24O2S |
|---|---|
| 分子量 | 256.40400 |
| 精确质量 | 256.15000 |
| PSA | 62.60000 |
| LogP | 4.60110 |
| InChIKey | LOVFARKOSKKFGH-UHFFFAOYSA-N |
| SMILES | CCCCCCCCC1(C)SC(=O)C(C)=C1O |
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~79%
5-hydroxy-2,4-d... 348113-81-5 |
| 文献：Kim, Pilho; Zhang, Yong-Mei; Shenoy, Gautham; Nguyen, Quynh-Anh; Boshoff, Helena I.; Manjunatha, Ujjini H.; Goodwill, Michael B.; Lonsdale, John; Price, Allen C.; Miller, Darcie J.; Duncan, Ken; White, Stephen W.; Rock, Charles O.; Barry III, Clifton E.; Dowd, Cynthia S. Journal of Medicinal Chemistry, 2006 , vol. 49, # 1 p. 159 - 171 |
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~71%
5-hydroxy-2,4-d... 348113-81-5 |
| 文献：McFadden, Jill M.; Medghalchi, Susan M.; Thupari, Jagan N.; Pinn, Michael L.; Vadlamudi, Aravinda; Miller, Katherine I.; Kuhajda, Francis P.; Townsend, Craig A. Journal of Medicinal Chemistry, 2005 , vol. 48, # 4 p. 946 - 961 |
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~12%
5-hydroxy-2,4-d... 348113-81-5 |
| 文献：Jones, Simon M.; Urch, Jonathan E.; Brun, Reto; Harwood, John L.; Berry, Colin; Gilbert, Ian H. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 4 p. 683 - 692 |
|
~%
5-hydroxy-2,4-d... 348113-81-5 |
| 文献：McFadden, Jill M.; Medghalchi, Susan M.; Thupari, Jagan N.; Pinn, Michael L.; Vadlamudi, Aravinda; Miller, Katherine I.; Kuhajda, Francis P.; Townsend, Craig A. Journal of Medicinal Chemistry, 2005 , vol. 48, # 4 p. 946 - 961 |
|
~%
5-hydroxy-2,4-d... 348113-81-5 |
| 文献：McFadden, Jill M.; Medghalchi, Susan M.; Thupari, Jagan N.; Pinn, Michael L.; Vadlamudi, Aravinda; Miller, Katherine I.; Kuhajda, Francis P.; Townsend, Craig A. Journal of Medicinal Chemistry, 2005 , vol. 48, # 4 p. 946 - 961 |
|
~%
5-hydroxy-2,4-d... 348113-81-5 |
| 文献：Jones, Simon M.; Urch, Jonathan E.; Brun, Reto; Harwood, John L.; Berry, Colin; Gilbert, Ian H. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 4 p. 683 - 692 |
|
~%
5-hydroxy-2,4-d... 348113-81-5 |
| 文献：Jones, Simon M.; Urch, Jonathan E.; Brun, Reto; Harwood, John L.; Berry, Colin; Gilbert, Ian H. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 4 p. 683 - 692 |
|
~%
5-hydroxy-2,4-d... 348113-81-5 |
| 文献：Jones, Simon M.; Urch, Jonathan E.; Brun, Reto; Harwood, John L.; Berry, Colin; Gilbert, Ian H. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 4 p. 683 - 692 |
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实验名称：In vitro inhibitory concentration against chloroquine-resistant, pyrimethamine-resist...
来源：ChEMBL
靶标：Plasmodium falciparum
External Id：CHEMBL884197
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实验名称：Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv at 100 uM
来源：ChEMBL
靶标：3-oxoacyl-[acyl-carrier-protein] synthase 2
External Id：CHEMBL863914
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实验名称：Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv at 100 uM
来源：ChEMBL
靶标：3-oxoacyl-[acyl-carrier-protein] synthase 3
External Id：CHEMBL858884
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实验名称：Inhibitory activity against FabH from Escherichia coli ANSI at 100 uM
来源：ChEMBL
靶标：3-oxoacyl-[acyl-carrier-protein] synthase 3
External Id：CHEMBL858883
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实验名称：Inhibitory activity against FabB from Escherichia coli ANSI at 100 uM
来源：ChEMBL
靶标：3-oxoacyl-[acyl-carrier-protein] synthase 1
External Id：CHEMBL871359
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实验名称：Inhibitory activity against Mycobacterium tuberculosis H37Rv
来源：ChEMBL
靶标：Mycobacterium tuberculosis
External Id：CHEMBL858888
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实验名称：Inhibitory activity against Escherichia coli ANSI
来源：ChEMBL
靶标：Escherichia coli
External Id：CHEMBL858887
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实验名称：Inhibitory concentration against Trypanosoma cruzi [Tulahuen strain C2C4] in rat skel...
来源：ChEMBL
靶标：Trypanosoma cruzi
External Id：CHEMBL885083
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实验名称：Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv at 100 uM
来源：ChEMBL
靶标：3-oxoacyl-[acyl-carrier-protein] synthase 1
External Id：CHEMBL858885
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|
实验名称：Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv
来源：ChEMBL
靶标：3-oxoacyl-[acyl-carrier-protein] synthase 3
External Id：CHEMBL863389
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