Molecule card · MolClass #42552
24781322
24781322: 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
- 24781322Mitochondrial Fusion · compound_name
- MolClass ID
- 42552
- InChIKey
- MFVBAWRAVLFEAD-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCC1))Cc3ccccn3
- Standard InChI
- InChI=1S/C17H27N3O/c21-12-8-17-14-19(13-15-5-3-4-9-18-15)10-11-20(17)16-6-1-2-7-16/h3-5,9,16-17,21H,1-2,6-8,10-14H2
- Stored Murcko scaffold
- n1ccccc1CN2CCN(CC2)C3CCCC3
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
- 39.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.198
- 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 · 24781322