Molecule card · MolClass #41714
22414673
22414673: 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
- 22414673Mitochondrial Fusion · compound_name
- MolClass ID
- 41714
- InChIKey
- RYYOPVUTBNPTIE-UHFFFAOYSA-N
- Canonical SMILES
- OC(c1ccccn1)c3cc2ccccc2n3S(=O)(=O)c4ccccc4
- Standard InChI
- InChI=1S/C20H16N2O3S/c23-20(17-11-6-7-13-21-17)19-14-15-8-4-5-12-18(15)22(19)26(24,25)16-9-2-1-3-10-16/h1-14,20,23H
- Stored Murcko scaffold
- n1ccccc1Cc2cc3ccccc3n2Sc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.137
- 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 · 22414673