Molecule card · MolClass #49933
22411561
22411561: 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
- 22411561Mitochondrial Fusion · compound_name
- MolClass ID
- 49933
- InChIKey
- XMXGZTNFEREQAC-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Cc3ccncc3
- Standard InChI
- InChI=1S/C22H24N2O2S/c1-22(2,3)19-6-10-21(11-7-19)27(25,26)24-20-8-4-17(5-9-20)16-18-12-14-23-15-13-18/h4-15,24H,16H2,1-3H3
- Stored Murcko scaffold
- n1ccc(cc1)Cc2ccc(cc2)NSc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.505 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.246
- 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 · 22411561