HCID16222097

Cobimetinib (R-enantiomer)

[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl]methanone

C21H21F3IN3O2531.3 g/molCAS 934660-94-3

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IDENTITY

结构与身份

标准SMILES: O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@H]2CCCCN2)C1
InChIKey: BSMCAPRUBJMWDF-QGZVFWFLSA-N
分子式: C21H21F3IN3O2
平均分子量: 531.3 g/mol
单同位素质量: 531.06306

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 64.6 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 4
重原子: 30
形式电荷: 0
复杂度: 624

ALIASES

名称与别名

共 27 条

Cobimetinib (R-enantiomer)934660-94-3(R)-XL518[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl]methanoneC21H21F3IN3O2BSMCAPRUBJMWDF-QGZVFWFLSA-N(R)-XL 518Cobimetinib R-enantiomerSCHEMBL188704orb1710009SCHEMBL29413366DTXSID70585319Cobimetinib(GDC-0973; XL518)MFCD25977159NSC768069AKOS030527016FX28741NSC-768069NCGC00346455-01[3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl][3-hydroxy-3-[(2R)-2-piperidinyl]-1-azetidinyl]methanone

REACTIONS

参与反应

4 条

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07915250B2

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uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07999006B2

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uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07803839B2

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08362002B2

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