Molecule card · MolClass #47145
24828132
24828132: 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
- 24828132Mitochondrial Fusion · compound_name
- MolClass ID
- 47145
- InChIKey
- YWRKKJFKCOZHOS-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c1ccc(cc1)OCc3cc(cc2COCOc23)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C17H15NO6/c1-11(19)12-2-4-16(5-3-12)23-9-14-7-15(18(20)21)6-13-8-22-10-24-17(13)14/h2-7H,8-10H2,1H3
- Stored Murcko scaffold
- O(c1ccccc1)Cc2cccc3c2OCOC3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.966
- 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 · 24828132