Molecule card · MolClass #52492
847842
847842: 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
- 847842Mitochondrial Fusion · compound_name
- MolClass ID
- 52492
- InChIKey
- FLCBOJLMOQCENC-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1(OC))S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCC3
- Standard InChI
- InChI=1S/C19H28N2O5S/c1-25-17-7-6-16(14-18(17)26-2)27(23,24)21-12-8-15(9-13-21)19(22)20-10-4-3-5-11-20/h6-7,14-15H,3-5,8-13H2,1-2H3
- Stored Murcko scaffold
- S(c1ccccc1)N2CCC([CH]N3CCCCC3)CC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.503 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.384
- 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 · 847842