Molecule card · MolClass #44824
24781026
24781026: 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
- 24781026Mitochondrial Fusion · compound_name
- MolClass ID
- 44824
- InChIKey
- HBFFOUINZDPCHX-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1CCC(CC1)N4CCN(Cc2cccc(c2)c3ccc(C)o3)CC4(CCO)
- Standard InChI
- InChI=1S/C26H39N3O2/c1-20(2)28-12-9-24(10-13-28)29-15-14-27(19-25(29)11-16-30)18-22-5-4-6-23(17-22)26-8-7-21(3)31-26/h4-8,17,20,24-25,30H,9-16,18-19H2,1-3H3
- Stored Murcko scaffold
- o1cccc1-c2cccc(c2)CN3CCN(CC3)C4CCNCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 425.608 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.257
- 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 · 24781026