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Literature summary for 2.7.10.1 extracted from
- Development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening (2018), J. Med. Chem., 61, 2104-2110 .
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 1-(4-[5-[1-(cyclopentylmethyl)-6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-2-yl]piperazin-1-yl)-2,2-dimethylpropan-1-one | - |
Homo sapiens | |
| 1-(cyclopentylmethyl)-3-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | - |
Homo sapiens | |
| 1-(cyclopentylmethyl)-N-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | - |
Homo sapiens | |
| 1-(cyclopentylmethyl)-N-methyl-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | - |
Homo sapiens | |
| 1-(cyclopentylmethyl)-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | - |
Homo sapiens |  |
| 1-[(1,3-dioxolan-2-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | - |
Homo sapiens | |
| 1-[(1,3-dioxolan-2-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | - |
Homo sapiens | |
| 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | - |
Homo sapiens | |
| 1-[4-(5-[1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one | - |
Homo sapiens | |
| BGB324 | i.e. Bemcentinib; i.e. Bemcentinib; i.e. Bemcentinib; i.e. Bemcentinib; i.e. Bemcentinib; i.e. Bemcentinib; i.e. Bemcentinib; i.e. Bemcentinib | Homo sapiens | |
| methyl 3-[4-([6-(methylamino)-3-[4-(piperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl)-1H-1,2,3-triazol-1-yl]thiophene-2-carboxylate | - |
Homo sapiens | |
| additional information | development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening; development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening; development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening; development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening; development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening; development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening; development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening; development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening | Homo sapiens |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | P07949 | - |
- |
| Homo sapiens | P08581 | - |
- |
| Homo sapiens | P10721 | - |
- |
| Homo sapiens | P30530 | - |
- |
| Homo sapiens | P35968 | - |
- |
| Homo sapiens | P36888 | - |
- |
| Homo sapiens | Q06418 | - |
- |
| Homo sapiens | Q12866 | - |
- |
Source Tissue
| Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|
| BT-474 cell | - |
Homo sapiens | - |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| Axl | - |
Homo sapiens |
| AXL kinase | - |
Homo sapiens |
| FLT3 kinase | - |
Homo sapiens |
| KIT kinase | - |
Homo sapiens |
| MER kinase | - |
Homo sapiens |
| MET kinase | - |
Homo sapiens |
| RET kinase | - |
Homo sapiens |
| TYRO3 kinase | - |
Homo sapiens |
| VEGFR2 kinase | - |
Homo sapiens |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.0000007 | - |
pH and temperature not specified in the publication | Homo sapiens | BGB324 | |
| 0.0000014 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0000026 | - |
pH and temperature not specified in the publication | Homo sapiens | BGB324 | |
| 0.000003 | - |
pH and temperature not specified in the publication | Homo sapiens | BGB324 | |
| 0.000006 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.000008 | - |
pH and temperature not specified in the publication | Homo sapiens | BGB324 | |
| 0.000008 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.000013 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.000015 | - |
pH and temperature not specified in the publication | Homo sapiens | BGB324 | |
| 0.000017 | - |
pH and temperature not specified in the publication | Homo sapiens | BGB324 | |
| 0.00002 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00003 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00005 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00006 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.000066 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.000068 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00007 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.000092 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0001 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-3-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00012 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00012 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00016 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00025 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00026 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-3-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00028 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-3-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0003 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(4-[5-[1-(cyclopentylmethyl)-6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-2-yl]piperazin-1-yl)-2,2-dimethylpropan-1-one | |
| 0.00036 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00038 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0004 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0004 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00042 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00043 | - |
pH and temperature not specified in the publication | Homo sapiens | methyl 3-[4-([6-(methylamino)-3-[4-(piperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl)-1H-1,2,3-triazol-1-yl]thiophene-2-carboxylate | |
| 0.00044 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-3-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00048 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00053 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00053 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0006 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0006 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00061 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(4-[5-[1-(cyclopentylmethyl)-6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-2-yl]piperazin-1-yl)-2,2-dimethylpropan-1-one | |
| 0.00064 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00069 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0007 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00073 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00076 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[4-(5-[1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one | |
| 0.00078 | - |
pH and temperature not specified in the publication | Homo sapiens | methyl 3-[4-([6-(methylamino)-3-[4-(piperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl)-1H-1,2,3-triazol-1-yl]thiophene-2-carboxylate | |
| 0.00084 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[4-(5-[1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one | |
| 0.00086 | - |
pH and temperature not specified in the publication | Homo sapiens | methyl 3-[4-([6-(methylamino)-3-[4-(piperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl)-1H-1,2,3-triazol-1-yl]thiophene-2-carboxylate | |
| 0.0009 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.001 | - |
pH and temperature not specified in the publication | Homo sapiens | BGB324 | |
| 0.0011 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0012 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0012 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[4-(5-[1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one | |
| 0.0013 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0018 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-3-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0019 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-3-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0021 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0023 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0025 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-3-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0034 | - |
pH and temperature not specified in the publication | Homo sapiens | BGB324 | |
| 0.0035 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.00367 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(cyclopentylmethyl)-N-methyl-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0045 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0045 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[4-(5-[1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one | |
| 0.0054 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[4-(5-[1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one | |
| 0.0062 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0072 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(4-[5-[1-(cyclopentylmethyl)-6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridin-2-yl]piperazin-1-yl)-2,2-dimethylpropan-1-one | |
| 0.0075 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0075 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0076 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-N-methyl-3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0087 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-[(1,3-dioxolan-2-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine | |
| 0.0089 | - |
pH and temperature not specified in the publication | Homo sapiens | methyl 3-[4-([6-(methylamino)-3-[4-(piperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl)-1H-1,2,3-triazol-1-yl]thiophene-2-carboxylate | |
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