Molecule card · MolClass #52119
4256400
4256400: 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
- 4256400Mitochondrial Fusion · compound_name
- MolClass ID
- 52119
- InChIKey
- JQPLMOWYMGHFDS-UHFFFAOYSA-N
- Canonical SMILES
- COc2cccc1C=C(C(=O)Oc12)C(=O)N4CCc3ccccc34
- Standard InChI
- InChI=1S/C19H15NO4/c1-23-16-8-4-6-13-11-14(19(22)24-17(13)16)18(21)20-10-9-12-5-2-3-7-15(12)20/h2-8,11H,9-10H2,1H3
- Stored Murcko scaffold
- O1[CH]C(=Cc2ccccc12)[CH]N3c4ccccc4CC3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.327 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.566
- 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 · 4256400