Molecule card · MolClass #52281
3711453
3711453: 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
- 3711453Mitochondrial Fusion · compound_name
- MolClass ID
- 52281
- InChIKey
- Not recorded
- Canonical SMILES
- O=C(c2[nH]nc1ccccc12)N3CCN(CC3)S(=O)(=O)c4ccc5ccccc5(c4)
- Standard InChI
- null
- Stored Murcko scaffold
- n1[nH]c([CH]N2CCN(Sc3ccc4ccccc4c3)CC2)c5ccccc15
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
- 6
- 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
- 94.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.486 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.976
- 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 · 3711453