HCID51001932

Taselisib

2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanamide

C24H28N8O2460.5 g/molCAS 1282512-48-4

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IDENTITY

结构与身份

标准SMILES: Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1
InChIKey: BEUQXVWXFDOSAQ-UHFFFAOYSA-N
分子式: C24H28N8O2
平均分子量: 460.5 g/mol
单同位素质量: 460.23352217

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 119 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 34
形式电荷: 0
复杂度: 750

ALIASES

名称与别名

共 71 条

Taselisib1282512-48-4GDC-00322-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanamideGDC0032RG-7604L08J2O299MDTXSID001558421H-Pyrazole-1-acetamide, 4-[5,6-dihydro-2-[3-methyl-1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-alpha,alpha-dimethyl-2-(4-(2-(1-ISOPROPYL-3-METHYL-1H-1,2,4-TRIAZOL-5-YL)-5,6-DIHYDROBENZO(F)IMIDAZO(1,2-D)(1,4)OXAZEPIN-9-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPANAMIDEtaselisibum1H-PYRAZOLE-1-ACETAMIDE, 4-(5,6-DIHYDRO-2-(3-METHYL-1-(1-METHYLETHYL)-1H-1,2,4-TRIAZOL-5-YL)IMIDAZO(1,2-D)(1,4)BENZOXAZEPIN-9-YL)-ALPHA,ALPHA-DIMETHYL-RefChem:891186DTXCID9078333RO55373812-methyl-2-(4-(4-(3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl)-9-oxa-3,6-diazatricyclo(8.4.0.0^(2,6))tetradeca-1(14),2,4,10,12-pentaen-12-yl)-1H-pyrazol-1-yl)propanamideGDC 0032Taselisib [INN]Taselisib (GDC0032)MFCD26142641

REACTIONS

参与反应

7 条

uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08242104B2

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uspto-grants-2015_12 · 10.6084/m9.figshare.5104873.v1 · US09198918B2

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08785626B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08343955B2

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08586574B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

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