Molecule card · MolClass #48350
4265523
4265523: 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
- 4265523Mitochondrial Fusion · compound_name
- MolClass ID
- 48350
- InChIKey
- QFVSBYNVUSUVQY-UHFFFAOYSA-N
- Canonical SMILES
- CCCCN2C(=O)C(NC(C)=O)c1ccccc12
- Standard InChI
- InChI=1S/C14H18N2O2/c1-3-4-9-16-12-8-6-5-7-11(12)13(14(16)18)15-10(2)17/h5-8,13H,3-4,9H2,1-2H3,(H,15,17)
- Stored Murcko scaffold
- [N]1[CH]Cc2ccccc12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.922
- 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 · 4265523