Molecule card · MolClass #38140
24798534
24798534: 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
- 24798534Mitochondrial Fusion · compound_name
- MolClass ID
- 38140
- InChIKey
- YAVRFSWMIYEWNA-FOWTUZBSSA-N
- Canonical SMILES
- CC(=Cc1ccco1)CN3CCN(Cc2ccc(C)o2)C(CCO)C3
- Standard InChI
- InChI=1S/C20H28N2O3/c1-16(12-19-4-3-11-24-19)13-21-8-9-22(18(14-21)7-10-23)15-20-6-5-17(2)25-20/h3-6,11-12,18,23H,7-10,13-15H2,1-2H3/b16-12+
- Stored Murcko scaffold
- o1cccc1C=CCN2CCN(Cc3occc3)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 52.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.898
- 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 · 24798534