Molecule card · MolClass #49283
24812892
24812892: 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
- 24812892Mitochondrial Fusion · compound_name
- MolClass ID
- 49283
- InChIKey
- OSVBLWOIRUSIFF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)OCCCCn3cnc2ccccc23
- Standard InChI
- InChI=1S/C18H20N2O/c1-15-8-10-16(11-9-15)21-13-5-4-12-20-14-19-17-6-2-3-7-18(17)20/h2-3,6-11,14H,4-5,12-13H2,1H3
- Stored Murcko scaffold
- n1cn(c2ccccc12)CCCCOc3ccccc3
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.
- 14730314#51746
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 27.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.501
- 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 · 24812892