Molecule card · MolClass #50334
17515367
17515367: 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
- 17515367Mitochondrial Fusion · compound_name
- MolClass ID
- 50334
- InChIKey
- CYXFEZPDYIDMJU-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c1CCCCc1sc2(NC(NC(C)=O)C(Cl)(Cl)Cl)
- Standard InChI
- InChI=1S/C15H19Cl3N2O3S/c1-3-23-13(22)11-9-6-4-5-7-10(9)24-12(11)20-14(15(16,17)18)19-8(2)21/h14,20H,3-7H2,1-2H3,(H,19,21)
- Stored Murcko scaffold
- s1ccc2c1CCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 413.748 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.347
- 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 · 17515367