Molecule card · MolClass #47976
7978223
7978223: 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
- 7978223Mitochondrial Fusion · compound_name
- MolClass ID
- 47976
- InChIKey
- OIGDDPHJMWHAFW-UHFFFAOYSA-N
- Canonical SMILES
- CCc1nccn1S(=O)(=O)c2ccc3ccccc3(c2)
- Standard InChI
- InChI=1S/C15H14N2O2S/c1-2-15-16-9-10-17(15)20(18,19)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,2H2,1H3
- Stored Murcko scaffold
- n1ccn(Sc2ccc3ccccc3c2)c1
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.
- 844830#42625
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.351 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.068
- 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 · 7978223