Molecule card · MolClass #48977
24830866
24830866: 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
- 24830866Mitochondrial Fusion · compound_name
- MolClass ID
- 48977
- InChIKey
- MGNBEMVWJYOMTH-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1)N2CCN(CC2)C5=Nc4cccc3cccc5(c34)
- Standard InChI
- InChI=1S/C21H18FN3/c22-16-7-9-17(10-8-16)24-11-13-25(14-12-24)21-18-5-1-3-15-4-2-6-19(23-21)20(15)18/h1-10H,11-14H2
- Stored Murcko scaffold
- N=1c2cccc3cccc(C1N4CCN(c5ccccc5)CC4)c23
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 18.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.387 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.366
- 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 · 24830866