Molecule card · MolClass #50793
17431745
17431745: 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
- 17431745Mitochondrial Fusion · compound_name
- MolClass ID
- 50793
- InChIKey
- GESPVUMLQRJYPK-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c1CCCCc1sc2(NC(NC(=O)CF)C(Cl)(Cl)Cl)
- Standard InChI
- InChI=1S/C15H18Cl3FN2O3S/c1-2-24-13(23)11-8-5-3-4-6-9(8)25-12(11)21-14(15(16,17)18)20-10(22)7-19/h14,21H,2-7H2,1H3,(H,20,22)
- 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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 431.739 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.447
- 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 · 17431745