Molecular structure from independently sourced SMILES

Vemurafenib 2D structure

Role
Drug
Mechanism class
BRAF / MEK
InChIKey
GPXBXXGIAQBQNI-UHFFFAOYSA-N
Structure checked
2026-10-08
Molecular formula
C23H18ClF2N3O3S
Structure source
PubChem
PubChem CID
42611257
InChI Key
GPXBXXGIAQBQNI-UHFFFAOYSA-N

SMILES

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F

Tags

BRAF V600E

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.

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