Molecule card · MolClass #47961
24807874
24807874: 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
- 24807874Mitochondrial Fusion · compound_name
- MolClass ID
- 47961
- InChIKey
- BHDIYYRPRBBPFC-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c2ccccc2(OC(=O)c1cc[n+]([O-])cc1)
- Standard InChI
- InChI=1S/C14H11NO5/c1-19-14(17)11-4-2-3-5-12(11)20-13(16)10-6-8-15(18)9-7-10/h2-9H,1H3
- Stored Murcko scaffold
- O([CH]c1cc[nH+]cc1)c2ccccc2
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
- 3
- 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
- 79.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.241 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.773
- 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 · 24807874