Molecule card · MolClass #50106
22407416
22407416: 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
- 22407416Mitochondrial Fusion · compound_name
- MolClass ID
- 50106
- InChIKey
- Not recorded
- Canonical SMILES
- O=C(c2ccc3[nH]c1CCCCc1c3(c2))N4CCN(CC4)c5ccc(F)cc5
- Standard InChI
- null
- Stored Murcko scaffold
- c1ccc(cc1)N2CCN([CH]c3ccc4[nH]c5c(c4c3)CCCC5)CC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.455 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.884
- 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 · 22407416