Molecule card · MolClass #35769
846411
846411: 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
- 846411Mitochondrial Fusion · compound_name
- MolClass ID
- 35769
- InChIKey
- OYHXDPMAFYHDNG-UHFFFAOYSA-N
- Canonical SMILES
- CCCC1CC(C)(OC1(=O))C(=O)CN2NC(=O)C=CC2(=O)
- Standard InChI
- InChI=1S/C14H18N2O5/c1-3-4-9-7-14(2,21-13(9)20)10(17)8-16-12(19)6-5-11(18)15-16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)
- Stored Murcko scaffold
- O1[CH]CCC1[CH]Cn2cccc[nH]2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.056
- 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 · 846411