Molecule card · MolClass #35957
14732144
14732144: 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
- 14732144Mitochondrial Fusion · compound_name
- MolClass ID
- 35957
- InChIKey
- IGXJEJBWTSUNNQ-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C(=C([O-])c1ccccc12)[n+]3ccccc3
- Standard InChI
- InChI=1S/C15H12N2O2/c1-16-12-8-4-3-7-11(12)14(18)13(15(16)19)17-9-5-2-6-10-17/h2-10H,1H3
- Stored Murcko scaffold
- n1cc(cc2ccccc12)-[n+]3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.269 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.325
- 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 · 14732144