2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure
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Common Name | 2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid | ||
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| CAS Number | 68614-64-2 | Molecular Weight | 405.47000 | |
| Density | 1.31g/cm3 | Boiling Point | 693.5ºC at 760 mmHg | |
| Molecular Formula | C22H19N3O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 373.2ºC | |
| Name | 2-[[4-(2-methoxyphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid |
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| Synonym | More Synonyms |
| Density | 1.31g/cm3 |
|---|---|
| Boiling Point | 693.5ºC at 760 mmHg |
| Molecular Formula | C22H19N3O3S |
| Molecular Weight | 405.47000 |
| Flash Point | 373.2ºC |
| Exact Mass | 405.11500 |
| PSA | 102.54000 |
| LogP | 4.19660 |
| Index of Refraction | 1.667 |
| InChIKey | TUXOKLCAKSFZNZ-UHFFFAOYSA-N |
| SMILES | COc1ccccc1-n1c(Cc2cccc3ccccc23)nnc1SCC(=O)O |
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: HTS for Bacterial rRNA inhibitors Measured in Microorganism-Based System Using Plate ...
Source: Broad Institute
Target: N/A
External Id: 7056-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based biochemical high throughput primary assay to identify inhibitors o...
Source: The Scripps Research Institute Molecular Screening Center
Target: Phospholipase C, beta 3 (phosphatidylinositol-specific) [Homo sapiens]
External Id: PLCB3_INH_QFRET_1536_1X%INH PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: ADAM10 [Homo sapiens]
External Id: ADAM10_INH_QFRET_1536_1X%INH PRUN
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: 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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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
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Name: Luminescence-based cell-based primary high throughput screening assay to identify inh...
Source: The Scripps Research Institute Molecular Screening Center
Target: COUP transcription factor 2 isoform a [Homo sapiens]
External Id: COUPTFII_INH_LUMI_1536_1X%INH PRUN
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Name: Identification of agents that induce E-selectin on human endothelial cells Measured i...
Source: Broad Institute
Target: E-Selectin
External Id: 2152-01_Activator_SinglePoint_HTS_Activity
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: 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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| [4-(2-methoxy-phenyl)-5-naphthalen-1-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid |
| 5-(1-Naphthylmethyl)-4-(2-methoxy-phenyl)-s-triazol-3-yl-thioglykolsaeure |