Molecular structure from independently sourced SMILES

Repotrectinib 2D structure

Role
Drug
Mechanism class
RET / MET / NTRK TKI
InChIKey
FIKPXCOQUIZNHB-WDEREUQCSA-N
Structure checked
2026-10-08
Molecular formula
C18H18FN5O2
Structure source
PubChem
PubChem CID
135565923
InChI Key
FIKPXCOQUIZNHB-WDEREUQCSA-N

SMILES

C[C@H]1CNC(=O)C2=C3N=C(C=CN3N=C2)N[C@@H](C4=C(O1)C=CC(=C4)F)C

Tags

NTRKROS1

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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