Molecule card · MolClass #38278
24826188
24826188: 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
- 24826188Mitochondrial Fusion · compound_name
- MolClass ID
- 38278
- InChIKey
- PNGBBOPTVZYPHQ-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)CSC2=NN(c1ccc(F)cc1)C(=S)S2
- Standard InChI
- InChI=1S/C11H9FN2O2S3/c1-16-9(15)6-18-10-13-14(11(17)19-10)8-4-2-7(12)3-5-8/h2-5H,6H2,1H3
- Stored Murcko scaffold
- N1=CS[CH]N1c2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.399
- 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 · 24826188