Molecule card · MolClass #36054
24830370
24830370: 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
- 24830370Mitochondrial Fusion · compound_name
- MolClass ID
- 36054
- InChIKey
- WOSUQKBEKQZXLS-UHFFFAOYSA-N
- Canonical SMILES
- O=C(C[n+]3cc(c1ccccc1)n2CCCc23)c4cccs4
- Standard InChI
- InChI=1S/C18H17N2OS/c21-16(17-8-5-11-22-17)13-19-12-15(14-6-2-1-3-7-14)20-10-4-9-18(19)20/h1-3,5-8,11-12H,4,9-10,13H2/q+1
- Stored Murcko scaffold
- s1cccc1[CH]C[n+]2cc(-c3ccccc3)n4c2CCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.407 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.468
- 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 · 24830370