Molecule card · MolClass #17915
1581090
1581090: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7976535Mitochondrial Fusion · compound_name
- MolClass ID
- 17915
- InChIKey
- ITZUIVKJVHJKKG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2ccc(cc2(c1))S(=O)(=O)n3nc(C)cc3(C)
- Standard InChI
- InChI=1S/C16H16N2O2S/c1-11-4-5-14-6-7-16(10-15(14)8-11)21(19,20)18-13(3)9-12(2)17-18/h4-10H,1-3H3
- Stored Murcko scaffold
- n1cccn1Sc2ccc3ccccc3c2
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.
- 49825758#33515
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.377 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.387
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1581090
Mitochondrial Fusion
Dataset #19 · 7976535