卡波醌结构式
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常用名 | 卡波醌 | 英文名 | carboquone |
|---|---|---|---|---|
| CAS号 | 24279-91-2 | 分子量 | 321.32800 | |
| 密度 | 1.1990 (rough estimate) | 沸点 | 460.09°C (rough estimate) | |
| 分子式 | C15H19N3O5 | 熔点 | 202° (dec) | |
| MSDS | N/A | 闪点 | N/A |
| 中文名 | 卡波醌 |
|---|---|
| 英文名 | [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] carbamate |
| 中文别名 | 咔巴醌 | 顺铂USP24 | 2,5-双(1-氮丙啶)-3-(1-甲氧基-2-氨基甲酰氧乙基)-6-甲基-1,4-苯醌 |
| 英文别名 | 更多 |
| 密度 | 1.1990 (rough estimate) |
|---|---|
| 沸点 | 460.09°C (rough estimate) |
| 熔点 | 202° (dec) |
| 分子式 | C15H19N3O5 |
| 分子量 | 321.32800 |
| 精确质量 | 321.13200 |
| PSA | 101.71000 |
| InChIKey | SHHKQEUPHAENFK-UHFFFAOYSA-N |
| SMILES | COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O |
| 折射率 | 1.5600 (estimate) |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:1 3.氢键受体数量:7 4.可旋转化学键数量:7 5.互变异构体数量:6 6.拓扑分子极性表面积:102 7.重原子数量:23 8.表面电荷:0 9.复杂度:644 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:1 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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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: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:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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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:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
来源:824
靶标:N/A
External Id:SPEC167MG
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实验名称:qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
来源:824
靶标:N/A
External Id:SPEC167MR
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实验名称:Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (E...
来源:NCGC
External Id:epac1-activator-v
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| Esquinon |
| Carbaziloquinone |
| Carbazilequinone |
| 2,5-bis-aziridin-1-yl-3-(2-carbamoyloxy-1-methoxy-ethyl)-6-methyl-[1,4]benzoquinone |
| carboquone |
| Carboquonum [INN-Latin] |
| Carboquona [INN-Spanish] |
| Carbazilquinone |
| Carboquone [INN:JAN] |
| 2,5-bis(1-aziridinyl)-3-(2-carbamoyloxy-1-methoxyethyl)-6-methyl-1,4-benzoquinone |