Molecule card · MolClass #42223
4264151
4264151: 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
- 4264151Mitochondrial Fusion · compound_name
- MolClass ID
- 42223
- InChIKey
- BCGKWKXODYXQCM-UHFFFAOYSA-N
- Canonical SMILES
- CCCCS(=O)(=O)c2c(N)c1c(C)cc(C)nc1s2
- Standard InChI
- InChI=1S/C13H18N2O2S2/c1-4-5-6-19(16,17)13-11(14)10-8(2)7-9(3)15-12(10)18-13/h7H,4-6,14H2,1-3H3
- Stored Murcko scaffold
- n1cccc2ccsc12
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.427 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.183
- 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 · 4264151