Molecule card · MolClass #46744
24797957
24797957: 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
- 24797957Mitochondrial Fusion · compound_name
- MolClass ID
- 46744
- InChIKey
- FYWODYZHEGZQKW-UHFFFAOYSA-N
- Canonical SMILES
- COc2cccc1C=C(COc12)CN4CCN(C3CCCCC3)C(CCO)C4
- Standard InChI
- InChI=1S/C23H34N2O3/c1-27-22-9-5-6-19-14-18(17-28-23(19)22)15-24-11-12-25(21(16-24)10-13-26)20-7-3-2-4-8-20/h5-6,9,14,20-21,26H,2-4,7-8,10-13,15-17H2,1H3
- Stored Murcko scaffold
- O1c2ccccc2C=C(C1)CN3CCN(CC3)C4CCCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.529 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.407
- 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 · 24797957