Molecule card · MolClass #42583
7975395
7975395: 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
- 7975395Mitochondrial Fusion · compound_name
- MolClass ID
- 42583
- InChIKey
- ZFKKFYFTGRHWSA-UHFFFAOYSA-N
- Canonical SMILES
- CC3(C)(CC1CC(C)(CN1S(=O)(=O)c2ccc(N)cc2)C3)
- Standard InChI
- InChI=1S/C16H24N2O2S/c1-15(2)8-13-9-16(3,10-15)11-18(13)21(19,20)14-6-4-12(17)5-7-14/h4-7,13H,8-11,17H2,1-3H3
- Stored Murcko scaffold
- S(c1ccccc1)N2CC3CCCC2C3
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.083
- 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 · 7975395