6-(5-methyl-2-phenyl-1H-1,2,4-triazol-3-ylidene)cyclohexa-2,4-dien-1-one结构式
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常用名 | 6-(5-methyl-2-phenyl-1H-1,2,4-triazol-3-ylidene)cyclohexa-2,4-dien-1-one | 英文名 | 6-(5-methyl-2-phenyl-1H-1,2,4-triazol-3-ylidene)cyclohexa-2,4-dien-1-one |
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| CAS号 | 65483-96-7 | 分子量 | 251.28300 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C15H13N3O | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | 6-(5-methyl-2-phenyl-1H-1,2,4-triazol-3-ylidene)cyclohexa-2,4-dien-1-one |
|---|---|
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 分子式 | C15H13N3O |
|---|---|
| 分子量 | 251.28300 |
| 精确质量 | 251.10600 |
| PSA | 50.68000 |
| LogP | 1.63570 |
| InChIKey | NKTIQWDZSVQQBM-UHFFFAOYSA-N |
| SMILES | Cc1nc(-c2ccccc2O)n(-c2ccccc2)n1 |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~96%
6-(5-methyl-2-p... 65483-96-7 |
| 文献:Ryabukhin, Yu. I.; Faleeva, L. N.; Gorbunova, M. O.; Kovaleva, T. V.; Uflyand, I. E.; Sheinker, V. N. Journal of Organic Chemistry USSR (English Translation), 1988 , vol. 24, # 9 p. 1794 - 1800 Zhurnal Organicheskoi Khimii, 1988 , vol. 24, # 9 p. 1990 - 1997 |
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~58%
6-(5-methyl-2-p... 65483-96-7 |
| 文献:Ryabukhin, Yu. I.; Faleeva, L. N.; Gorbunova, M. O.; Kovaleva, T. V.; Uflyand, I. E.; Sheinker, V. N. Journal of Organic Chemistry USSR (English Translation), 1988 , vol. 24, # 9 p. 1794 - 1800 Zhurnal Organicheskoi Khimii, 1988 , vol. 24, # 9 p. 1990 - 1997 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 上游产品 3 | |
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| 下游产品 0 | |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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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:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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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: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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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| N-Phenyltriazol |
| 2-(5-methyl-2-phenyl-2H-[1,2,4]triazol-3-yl)-phenol |
| Phenol,2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl) |
| 1-phenyl-3-methyl-5-(o-hydroxyphenyl)-1,2,4-triazole |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 65483-96-7的InChIKey是什么? |
| A: 65483-96-7InChIKey为NKTIQWDZSVQQBM-UHFFFAOYSA-N。 |
| Q: 65483-96-7的SMILES表达式是什么? |
| A: 65483-96-7SMILES表达式为Cc1nc(-c2ccccc2O)n(-c2ccccc2)n1。 |
| Q: 65483-96-7的分子式是什么? |
| A: 65483-96-7分子式为C15H13N3O。 |
| Q: 65483-96-7的极性表面积PSA是多少? |
| A: 65483-96-7极性表面积PSA为50.68000。 |
| Q: 65483-96-7的分子量是多少? |
| A: 65483-96-7分子量为251.28300。 |
| Q: 65483-96-7的LogP(油水分配系数)是多少? |
| A: 65483-96-7LogP(油水分配系数)为1.63570。 |
| Q: 65483-96-7的上游原料有哪些? |
| A: 65483-96-7相关上游原料(CAS):54789-70-7;100-63-0;487-48-9。 |
| Q: 65483-96-7的CAS号是多少? |
| A: 65483-96-7CAS号为65483-96-7。 |
| Q: 65483-96-7有哪些英文别名? |
| A: 65483-96-7英文别名有:N-Phenyltriazol、 2-(5-methyl-2-phenyl-2H-[1,2,4]triazol-3-yl)-phenol、 Phenol,2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)、 1-phenyl-3-methyl-5-(o-hydroxyphenyl)-1,2,4-triazole。 |
| Q: 65483-96-7的中文名称是什么? |
| A: 65483-96-7的中文名称为65483-96-7。 |