Molecule card · MolClass #37718
24828458
24828458: 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
- 24828458Mitochondrial Fusion · compound_name
- MolClass ID
- 37718
- InChIKey
- INBVACQTUAVZCK-LCYFTJDESA-N
- Canonical SMILES
- Cc1ccccc1[N+]([O-])=Cc2cccs2
- Standard InChI
- InChI=1S/C12H11NOS/c1-10-5-2-3-7-12(10)13(14)9-11-6-4-8-15-11/h2-9H,1H3/b13-9-
- Stored Murcko scaffold
- s1cccc1C=[NH+]c2ccccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 217.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.178
- 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 · 24828458