Molecule card · MolClass #44114
24807376
24807376: 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
- 24807376Mitochondrial Fusion · compound_name
- MolClass ID
- 44114
- InChIKey
- FMLAHQZKMCWVAU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)C(=O)NCC3OCCc2ccccc23
- Standard InChI
- InChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)21-19(23)18(22)20-12-17-16-5-3-2-4-14(16)10-11-24-17/h2-9,17H,10-12H2,1H3,(H,20,22)(H,21,23)
- Stored Murcko scaffold
- O1CCc2ccccc2C1CN[CH][CH]Nc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.364
- 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 · 24807376