Molecule card · MolClass #37094
24821949
24821949: 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
- 24821949Mitochondrial Fusion · compound_name
- MolClass ID
- 37094
- InChIKey
- ASWPGNYOGPUEFE-UHFFFAOYSA-N
- Canonical SMILES
- CC[n+]2c(C)cc3c1ccccc1sc3(c2(C))
- Standard InChI
- InChI=1S/C15H16NS/c1-4-16-10(2)9-13-12-7-5-6-8-14(12)17-15(13)11(16)3/h5-9H,4H2,1-3H3/q+1
- Stored Murcko scaffold
- s1c2ccccc2c3cc[nH+]cc13
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.361 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.407
- 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 · 24821949