Molecule card · MolClass #35707
24819343
24819343: 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
- 24819343Mitochondrial Fusion · compound_name
- MolClass ID
- 35707
- InChIKey
- QAXKEZGOMLRGLA-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc4c(c1)ccc3OCC2CONC2c34
- Standard InChI
- InChI=1S/C14H13NO2/c1-2-4-11-9(3-1)5-6-12-13(11)14-10(7-16-12)8-17-15-14/h1-6,10,14-15H,7-8H2
- Stored Murcko scaffold
- O1NC2c3c(OCC2C1)ccc4ccccc43
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 227.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3
- 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 · 24819343