Molecule card · MolClass #38489
24824367
24824367: 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
- 24824367Mitochondrial Fusion · compound_name
- MolClass ID
- 38489
- InChIKey
- RXSNAQZRAYFRHK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2c(c1)c3nc(ncc3(CS2))S
- Standard InChI
- InChI=1S/C12H10N2S2/c1-7-2-3-10-9(4-7)11-8(6-16-10)5-13-12(15)14-11/h2-5H,6H2,1H3,(H,13,14,15)
- Stored Murcko scaffold
- n1cnc2-c3ccccc3SCc2c1
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.
- 24817871#34624
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.827
- 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 · 24824367