Molecule card · MolClass #49973
22410940
22410940: 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
- 22410940Mitochondrial Fusion · compound_name
- MolClass ID
- 49973
- InChIKey
- IQNOYMCGOALXJV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1(C))S(=O)(=O)Nc3ccccc3(c2ccccc2)
- Standard InChI
- InChI=1S/C20H19NO2S/c1-15-12-13-18(14-16(15)2)24(22,23)21-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-14,21H,1-2H3
- Stored Murcko scaffold
- S(Nc1ccccc1-c2ccccc2)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
- 3
- 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
- 54.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.437 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.529
- 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 · 22410940