Molecule card · MolClass #37282
17409612
17409612: 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
- 17409612Mitochondrial Fusion · compound_name
- MolClass ID
- 37282
- InChIKey
- FGQAZHIWWYRASP-UHFFFAOYSA-N
- Canonical SMILES
- COCCN2C=CC(O)=C(Cc1ccccc1)C2(=O)
- Standard InChI
- InChI=1S/C15H17NO3/c1-19-10-9-16-8-7-14(17)13(15(16)18)11-12-5-3-2-4-6-12/h2-8,17H,9-11H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)Cc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.468
- 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 · 17409612