Molecule card · MolClass #48452
7967886
7967886: 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
- 7967886Mitochondrial Fusion · compound_name
- MolClass ID
- 48452
- InChIKey
- WRBRFRVBDXOXPG-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1CCN(CC1)S(=O)(=O)c2ccc3NC(=O)c4cccc2c34
- Standard InChI
- InChI=1S/C19H20N2O5S/c1-2-26-19(23)12-8-10-21(11-9-12)27(24,25)16-7-6-15-17-13(16)4-3-5-14(17)18(22)20-15/h3-7,12H,2,8-11H2,1H3,(H,20,22)
- Stored Murcko scaffold
- S(c1ccc2[nH]cc3cccc1c32)N4CCCCC4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.439 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.985
- 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 · 7967886