Molecule card · MolClass #51267
17386715
17386715: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17386715Mitochondrial Fusion · compound_name
- MolClass ID
- 51267
- InChIKey
- AFPQJEYVQPKFNF-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)c3nc(ncc3(c2nnnn2(c1ccc(cc1)Cl)))c4cccs4
- Standard InChI
- InChI=1S/C16H8ClF3N6S/c17-9-3-5-10(6-4-9)26-15(23-24-25-26)11-8-21-14(12-2-1-7-27-12)22-13(11)16(18,19)20/h1-8H
- Stored Murcko scaffold
- n1nc(-c2cnc(nc2)-c3sccc3)n(n1)-c4ccccc4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 408.79 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.163
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17386715