Molecule card · MolClass #49424
24806593
24806593: 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
- 24806593Mitochondrial Fusion · compound_name
- MolClass ID
- 49424
- InChIKey
- NYMMQWCIFQJDNY-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)CSc3nc2ccccc2c(n3)S
- Standard InChI
- InChI=1S/C15H12N2S2/c18-14-12-8-4-5-9-13(12)16-15(17-14)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
- Stored Murcko scaffold
- n1cc2ccccc2nc1SCc3ccccc3
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
- 2
- 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
- 89.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.402 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.827
- 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 · 24806593