Molecule card · MolClass #41850
24828167
24828167: 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
- 24828167Mitochondrial Fusion · compound_name
- MolClass ID
- 41850
- InChIKey
- UXMUUUYGNLTXRY-UHFFFAOYSA-N
- Canonical SMILES
- OC(c1ccccc1)=C(C(=Nc3cccc2ccccc23)[S-])[n+]4ccccc4
- Standard InChI
- InChI=1S/C24H18N2OS/c27-23(19-11-3-1-4-12-19)22(26-16-7-2-8-17-26)24(28)25-21-15-9-13-18-10-5-6-14-20(18)21/h1-17H,(H-,25,27,28)
- Stored Murcko scaffold
- N(=CC(=Cc1ccccc1)[n+]2ccccc2)c3cccc4ccccc34
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.
- 17516569#43214
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.479 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.62
- 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 · 24828167