Molecule card · MolClass #52515
844555
844555: 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
- 844555Mitochondrial Fusion · compound_name
- MolClass ID
- 52515
- InChIKey
- UZCYAWRVLBNROC-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCOC(=O)c1ccc(cc1)NC(=O)c2ccco2
- Standard InChI
- InChI=1S/C17H19NO4/c1-2-3-4-11-22-17(20)13-7-9-14(10-8-13)18-16(19)15-6-5-12-21-15/h5-10,12H,2-4,11H2,1H3,(H,18,19)
- Stored Murcko scaffold
- o1cccc1[CH]Nc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.338 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.548
- 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 · 844555