Molecule card · MolClass #42932
24799876
24799876: 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
- 24799876Mitochondrial Fusion · compound_name
- MolClass ID
- 42932
- InChIKey
- SFYYFZVMJHYYOX-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1CCC(CC1)N2CCN(CC2(CCO))C3CCCCCC3
- Standard InChI
- InChI=1S/C21H41N3O/c1-18(2)22-12-9-20(10-13-22)24-15-14-23(17-21(24)11-16-25)19-7-5-3-4-6-8-19/h18-21,25H,3-17H2,1-2H3
- Stored Murcko scaffold
- N1CCC(N2CCN(CC2)C3CCCCCC3)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
- 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
- 29.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.571 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.068
- 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 · 24799876