Molecule card · MolClass #51055
17412494
17412494: 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
- 17412494Mitochondrial Fusion · compound_name
- MolClass ID
- 51055
- InChIKey
- RGUGPYBGFLDYNY-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2c(C)cc(NC(=O)Nc1ccc(cc1)Cl)s2
- Standard InChI
- InChI=1S/C15H15ClN2O3S/c1-3-21-14(19)13-9(2)8-12(22-13)18-15(20)17-11-6-4-10(16)5-7-11/h4-8H,3H2,1-2H3,(H2,17,18,20)
- Stored Murcko scaffold
- s1cccc1N[CH]Nc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 338.811 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.698
- 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 · 17412494