Molecule card · MolClass #49776
24782956
24782956: 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
- 24782956Mitochondrial Fusion · compound_name
- MolClass ID
- 49776
- InChIKey
- FNGQKPUCMMQDJX-ACCUITESSA-N
- Canonical SMILES
- Cn3cccc3(C=C1CCc2ccccc2(C1(=O)))
- Standard InChI
- InChI=1S/C16H15NO/c1-17-10-4-6-14(17)11-13-9-8-12-5-2-3-7-15(12)16(13)18/h2-7,10-11H,8-9H2,1H3/b13-11+
- Stored Murcko scaffold
- c1ccc2c(c1)[CH]C(=Cc3ccc[nH]3)CC2
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
- 1
- 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
- 22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 237.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.03
- 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 · 24782956