Molecular structure from independently sourced SMILES

Cobimetinib 2D structure

Role
Drug
Mechanism class
BRAF / MEK
InChIKey
BSMCAPRUBJMWDF-KRWDZBQOSA-N
Structure checked
2026-10-08
Molecular formula
C21H21F3IN3O2
Structure source
PubChem
PubChem CID
16222096
InChI Key
BSMCAPRUBJMWDF-KRWDZBQOSA-N

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)O

Tags

MEK

Related compounds

External IDs · BioMoa

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Editorial responsibility and corrections

Operated and edited by the independent StructureMoa project. Explanations use AI assistance; structural identity and similarity are checked against source records and calculation tests. Molecular data and clinical or regulatory evidence have separate review scopes.

Source structures
PubChem · CID / SMILES / InChIKey
Calculations and automated checks
RDKit · Morgan / SMARTS
Disclosed specialist review
No separate external specialist review is disclosed. Passing automated tests is not specialist review of clinical claims.

For a correction, include the page URL, molecule name or CID, the field in question and a supporting source. Corrections are checked against sources, and the affected editorial update date is changed when a correction is published. [email protected]