Molecule card · MolClass #46670
24782592
24782592: 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
- 24782592Mitochondrial Fusion · compound_name
- MolClass ID
- 46670
- InChIKey
- HHZNTKHCALSYGC-UHFFFAOYSA-N
- Canonical SMILES
- CCOc3cccc(CN2CCN(CCc1ccccc1)C(CCO)C2)c3(O)
- Standard InChI
- InChI=1S/C23H32N2O3/c1-2-28-22-10-6-9-20(23(22)27)17-24-14-15-25(21(18-24)12-16-26)13-11-19-7-4-3-5-8-19/h3-10,21,26-27H,2,11-18H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)CN2CCN(CCc3ccccc3)CC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 384.513 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.634
- 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 · 24782592