Molecule card · MolClass #43443
24828533
24828533: 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
- 24828533Mitochondrial Fusion · compound_name
- MolClass ID
- 43443
- InChIKey
- FASVQPQIVXUOIJ-UHFFFAOYSA-N
- Canonical SMILES
- COCCCNC(=O)C(=O)C2C(=O)Nc1ccccc12
- Standard InChI
- InChI=1S/C14H16N2O4/c1-20-8-4-7-15-14(19)12(17)11-9-5-2-3-6-10(9)16-13(11)18/h2-3,5-6,11H,4,7-8H2,1H3,(H,15,19)(H,16,18)
- Stored Murcko scaffold
- c1ccc2c(c1)N[CH]C2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.163
- 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 · 24828533