Molecule card · MolClass #49212
24818209
24818209: 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
- 24818209Mitochondrial Fusion · compound_name
- MolClass ID
- 49212
- InChIKey
- SJZPAKINQAHWHO-UHFFFAOYSA-N
- Canonical SMILES
- Cn1c(nnc1S)c3c(c2ncc(cc2s3)C(F)(F)F)c4cccs4
- Standard InChI
- InChI=1S/C15H9F3N4S3/c1-22-13(20-21-14(22)23)12-10(8-3-2-4-24-8)11-9(25-12)5-7(6-19-11)15(16,17)18/h2-6H,1H3,(H,21,23)
- Stored Murcko scaffold
- n1nc([nH]c1)-c2sc3cccnc3c2-c4sccc4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 138.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 398.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.776
- 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 · 24818209