Molecule card · MolClass #42911
24798546
24798546: 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
- 24798546Mitochondrial Fusion · compound_name
- MolClass ID
- 42911
- InChIKey
- Not recorded
- Canonical SMILES
- CC(C)CC3c4[nH]c1ccccc1c4(CCN3(CCCn2cccn2))
- Standard InChI
- null
- Stored Murcko scaffold
- n1cccn1CCCN2Cc3[nH]c4ccccc4c3CC2
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.
- 24799329#42908
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.475 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.719
- 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 · 24798546