Molecule card · MolClass #36915
24800173
24800173: 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
- 24800173Mitochondrial Fusion · compound_name
- MolClass ID
- 36915
- InChIKey
- SIZXEYYCKOOFIH-UHFFFAOYSA-N
- Canonical SMILES
- OCCC3CN(CCCn1cccn1)CCN3(Cc2ccccc2)
- Standard InChI
- InChI=1S/C19H28N4O/c24-15-8-19-17-21(10-5-12-23-11-4-9-20-23)13-14-22(19)16-18-6-2-1-3-7-18/h1-4,6-7,9,11,19,24H,5,8,10,12-17H2
- Stored Murcko scaffold
- n1cccn1CCCN2CCN(Cc3ccccc3)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.
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.847
- 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 · 24800173