Molecule card · MolClass #50723
17504267
17504267: 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
- 17504267Mitochondrial Fusion · compound_name
- MolClass ID
- 50723
- InChIKey
- Not recorded
- Canonical SMILES
- Cc1n[nH]c(O)c1C(c3cn(Cc2ccccc2Cl)c4ccccc34)c5c(C)n[nH]c5(O)
- Standard InChI
- null
- Stored Murcko scaffold
- n1cc(c[nH]1)C(c2cn[nH]c2)c3cn(c4ccccc43)Cc5ccccc5
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.
- 17433744#50755
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 447.918 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.172
- 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 · 17504267