Molecule card · MolClass #48602
24841670
24841670: 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
- 24841670Mitochondrial Fusion · compound_name
- MolClass ID
- 48602
- InChIKey
- Not recorded
- Canonical SMILES
- OCCCCOC1CC(C=C(O1)C(=O)NCc2nc3ccccc3([nH]2))c4ccc5OCOc5(c4)
- Standard InChI
- null
- Stored Murcko scaffold
- n1c2ccccc2[nH]c1CN[CH]C=3OCCC(C3)c4ccc5OCOc5c4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 465.499 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.518
- 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 · 24841670