Molecule card · MolClass #48033
24801527
24801527: 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
- 24801527Mitochondrial Fusion · compound_name
- MolClass ID
- 48033
- InChIKey
- MDDDUQHAVQWEFX-UHFFFAOYSA-N
- Canonical SMILES
- CCn2c(C)[n+](CC)c1cc(ccc12)S(=O)(=O)N(C)C
- Standard InChI
- InChI=1S/C14H22N3O2S/c1-6-16-11(3)17(7-2)14-10-12(8-9-13(14)16)20(18,19)15(4)5/h8-10H,6-7H2,1-5H3/q+1
- Stored Murcko scaffold
- c1ccc2[nH+]c[nH]c2c1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.41 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.749
- 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 · 24801527