Molecule card · MolClass #50585
17508398
17508398: 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
- 17508398Mitochondrial Fusion · compound_name
- MolClass ID
- 50585
- InChIKey
- Not recorded
- Canonical SMILES
- Cc1ccc(o1)C(C(=O)NCC2CCCO2)N(Cc3ccccc3)C(=O)c4ccc([nH]4)c5ccccc5
- Standard InChI
- null
- Stored Murcko scaffold
- o1cccc1C([CH]NCC2OCCC2)N([CH]c3ccc([nH]3)-c4ccccc4)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.
No other molecules currently have this stored scaffold.
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
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 497.586 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.075
- 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 · 17508398