Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L91ENV
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| Ligand Name |
1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide
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| Synonyms |
BIIB091; BIIB-091; 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide; MJ0LWX26KB; CHEMBL5083772; SCHEMBL20532949; GTPL11791; BDBM324284; US10189829, Compound 27; NSC839699; NSC-839699; compound 51 [PMID: 34734694]; CS-0311353; (R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-2-(oxetan-3-yl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-5-yl)-1H-1,2,3-triazole-4-carboxamide; 1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE, 1-(1,1-DIMETHYLETHYL)-N-((5R)-2,3,4,5-TETRAHYDRO-8-(2-((1-METHYL-1H-PYRAZOL-4-YL)AMINO)-4-PYRIMIDINYL)-2-(3-OXETANYL)-1H-2-BENZAZEPIN-5-YL)-; 2247614-80-6; YDA
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| Structure |
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Download2D MOL |
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| Formula |
C28H34N10O2
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| Canonical SMILES |
CC(C)(C)N1C=C(N=N1)C(=O)NC2CCN(CC3=C2C=CC(=C3)C4=NC(=NC=C4)NC5=CN(N=C5)C)C6COC6
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| InChI |
1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1
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| InChIKey |
JSAQBOQCZJHWMA-XMMPIXPASA-N
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| PubChem Compound ID | ||||
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