Molecule card · MolClass #38441
24799609
24799609: 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
- 24799609Mitochondrial Fusion · compound_name
- MolClass ID
- 38441
- InChIKey
- BZQVAFPMLMCURL-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)=CCN3CCN(Cc1cccc2OCOc12)CC3(CCO)
- Standard InChI
- InChI=1S/C19H28N2O3/c1-15(2)6-8-21-10-9-20(13-17(21)7-11-22)12-16-4-3-5-18-19(16)24-14-23-18/h3-6,17,22H,7-14H2,1-2H3
- Stored Murcko scaffold
- O1c2cccc(c2OC1)CN3CCNCC3
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.
- 24799776#38211
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.792
- 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 · 24799609