Molecule card · MolClass #51989
7974218
7974218: 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
- 7974218Mitochondrial Fusion · compound_name
- MolClass ID
- 51989
- InChIKey
- HAHWQJZCEHYMEU-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccc(CC(=O)N1CCOCC1)cc2(OC)
- Standard InChI
- InChI=1S/C14H19NO4/c1-17-12-4-3-11(9-13(12)18-2)10-14(16)15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
- Stored Murcko scaffold
- O1CCN([CH]Cc2ccccc2)CC1
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
- 48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.543
- 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 · 7974218