Molecule card · MolClass #36138
24708162
24708162: 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
- 24708162Mitochondrial Fusion · compound_name
- MolClass ID
- 36138
- InChIKey
- Not recorded
- Canonical SMILES
- CCC(C)C(N)c1cn(nn1)C(Cc2cc3ccccc3([nH]2))C(=O)N4CCNCC4
- Standard InChI
- null
- Stored Murcko scaffold
- n1nn(cc1)C([CH]N2CCNCC2)Cc3cc4ccccc4[nH]3
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.
- 24707989#27862
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 409.529 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.697
- 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 · 24708162