Molecule card · MolClass #45393
843570
843570: 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
- 843570Mitochondrial Fusion · compound_name
- MolClass ID
- 45393
- InChIKey
- PIBDLFSMWIKWTO-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)CCCCC1C(NC(=O)OC)C(CS1)NC(=O)OC
- Standard InChI
- InChI=1S/C14H24N2O6S/c1-20-11(17)7-5-4-6-10-12(16-14(19)22-3)9(8-23-10)15-13(18)21-2/h9-10,12H,4-8H2,1-3H3,(H,15,18)(H,16,19)
- Stored Murcko scaffold
- S1CCCC1
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 12
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 348.417 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.196
- 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 · 843570