Molecule card · MolClass #52050
4263080
4263080: 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
- 4263080Mitochondrial Fusion · compound_name
- MolClass ID
- 52050
- InChIKey
- WDXUALKXAHEDBR-UHFFFAOYSA-N
- Canonical SMILES
- CN(CCCC(=O)NCc1ccco1)S(=O)(=O)c2ccccc2
- Standard InChI
- InChI=1S/C16H20N2O4S/c1-18(23(20,21)15-8-3-2-4-9-15)11-5-10-16(19)17-13-14-7-6-12-22-14/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,17,19)
- Stored Murcko scaffold
- o1cccc1CN[CH]CCCNSc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.408 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.205
- 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 · 4263080