Molecule card · MolClass #52127
4255065
4255065: 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
- 4255065Mitochondrial Fusion · compound_name
- MolClass ID
- 52127
- InChIKey
- BZBPHGWJXMQXQH-UHFFFAOYSA-N
- Canonical SMILES
- CS(=O)(=O)N2CCc1cc(ccc12)C(=O)N3CCOCC3
- Standard InChI
- InChI=1S/C14H18N2O4S/c1-21(18,19)16-5-4-11-10-12(2-3-13(11)16)14(17)15-6-8-20-9-7-15/h2-3,10H,4-9H2,1H3
- Stored Murcko scaffold
- O1CCN([CH]c2ccc3NCCc3c2)CC1
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.938
- 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 · 4255065