Molecule card · MolClass #45279
24823143
24823143: 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
- 24823143Mitochondrial Fusion · compound_name
- MolClass ID
- 45279
- InChIKey
- NZRLBYAVNUTULU-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccccc1)C3=C(c2ccccc2)S(=O)(=O)CCS3(=O)(=O)
- Standard InChI
- InChI=1S/C17H15NO5S2/c19-17(18-14-9-5-2-6-10-14)16-15(13-7-3-1-4-8-13)24(20,21)11-12-25(16,22)23/h1-10H,11-12H2,(H,18,19)
- Stored Murcko scaffold
- S1C([CH]Nc2ccccc2)=C(SCC1)c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.877
- 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 · 24823143