Molecule card · MolClass #48975
24831120
24831120: 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
- 24831120Mitochondrial Fusion · compound_name
- MolClass ID
- 48975
- InChIKey
- TVBVWQBKHMVVAE-SFQUDFHCSA-N
- Canonical SMILES
- Fc1ccc2c(c1)C(CCS2)=NNc3ccccn3
- Standard InChI
- InChI=1S/C14H12FN3S/c15-10-4-5-13-11(9-10)12(6-8-19-13)17-18-14-3-1-2-7-16-14/h1-5,7,9H,6,8H2,(H,16,18)/b17-12+
- Stored Murcko scaffold
- n1ccccc1NN=C2c3ccccc3SCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.456
- 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 · 24831120