Molecule card · MolClass #40722
865768
865768: 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
- 865768Mitochondrial Fusion · compound_name
- MolClass ID
- 40722
- InChIKey
- Not recorded
- Canonical SMILES
- Cc2cc(OCc1nn[nH]n1)c4c(c2)OC(=O)C=C4(c3ccccc3)
- Standard InChI
- null
- Stored Murcko scaffold
- n1nc(n[nH]1)COc2cccc3O[CH]C=C(c4ccccc4)c32
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.329 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.205
- 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 · 865768