Molecule card · MolClass #45423
24833291
24833291: 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
- 24833291Mitochondrial Fusion · compound_name
- MolClass ID
- 45423
- InChIKey
- YOBZWQMUBIJQJF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)NC(=O)c2cc(C)n(c2(C))C3CC3
- Standard InChI
- InChI=1S/C17H20N2O3S/c1-11-4-8-15(9-5-11)23(21,22)18-17(20)16-10-12(2)19(13(16)3)14-6-7-14/h4-5,8-10,14H,6-7H2,1-3H3,(H,18,20)
- Stored Murcko scaffold
- S(N[CH]c1ccn(c1)C2CC2)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
- 4
- 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
- 76.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.945
- 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 · 24833291