Molecule card · MolClass #52079
4259242
4259242: 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
- 4259242Mitochondrial Fusion · compound_name
- MolClass ID
- 52079
- InChIKey
- NZFLQIUKSPSTQY-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1CCCN(C1)C(=O)CS(=O)(=O)Cc2ccccc2
- Standard InChI
- InChI=1S/C17H23NO5S/c1-2-23-17(20)15-9-6-10-18(11-15)16(19)13-24(21,22)12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
- Stored Murcko scaffold
- S(C[CH]N1CCCCC1)Cc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.244
- 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 · 4259242