Molecule card · MolClass #42335
24825304
24825304: 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
- 24825304Mitochondrial Fusion · compound_name
- MolClass ID
- 42335
- InChIKey
- HMCUVTVLMRPUHJ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CSc1cccc[n+]1([O-]))NCC2CCCCC2
- Standard InChI
- InChI=1S/C14H20N2O2S/c17-13(15-10-12-6-2-1-3-7-12)11-19-14-8-4-5-9-16(14)18/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,15,17)
- Stored Murcko scaffold
- S(c1cccc[nH+]1)C[CH]NCC2CCCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.387 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.518
- 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 · 24825304