Molecule card · MolClass #48062
22411681
22411681: 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
- 22411681Mitochondrial Fusion · compound_name
- MolClass ID
- 48062
- InChIKey
- JOSQZNPXPNWJNC-UHFFFAOYSA-N
- Canonical SMILES
- CC=2C(O)=C(C(=O)N(c1ccccc1)C=2c3ccccc3)S(=O)c4ccccc4
- Standard InChI
- InChI=1S/C24H19NO3S/c1-17-21(18-11-5-2-6-12-18)25(19-13-7-3-8-14-19)24(27)23(22(17)26)29(28)20-15-9-4-10-16-20/h2-16,26H,1H3
- Stored Murcko scaffold
- S(c1ccccc1)C2=CC=C(c3ccccc3)N([CH]2)c4ccccc4
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
- 4
- 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
- 76.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 401.48 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.198
- 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 · 22411681