Cobimetinib
[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone
Molecular Identity
Cobimetinib
[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone
PubChem CID: 16222096
2D Structure
Properties
C21H21F3IN3O2
Molecular Formula
531.30
Molecular Weight
g/mol
531.0631
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
64.6
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
624
Complexity
SMILES
Canonical SMILES
SMILES: C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)OIsomeric SMILES
SMILES: C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)OSynonyms(20)
Cobimetinib934660-93-2GDC-0973XL518CotellicGDC 0973Xl-518RG7420XL 518RG 7420ER29L26N1XCHEBI:90851DTXSID60239435Methanone, (3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)(3-hydroxy-3-((2S)-2-piperidinyl)-1-azetidinyl)-1-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoyl}-3-[(2S)-piperidin-2-yl]azetidin-3-ol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cobimetinib
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