Molecule card · MolClass #47569
842916
842916: 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
- 842916Mitochondrial Fusion · compound_name
- MolClass ID
- 47569
- InChIKey
- BABSBIQFSXKMQV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c2c(N)c(sc2(n1))S(=O)(=O)Cc3ccccc3
- Standard InChI
- InChI=1S/C16H16N2O2S2/c1-10-8-11(2)18-15-13(10)14(17)16(21-15)22(19,20)9-12-6-4-3-5-7-12/h3-8H,9,17H2,1-2H3
- Stored Murcko scaffold
- n1cccc2cc(sc12)SCc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.343
- 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 · 842916