Molecule card · MolClass #38405
24800599
24800599: 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
- 24800599Mitochondrial Fusion · compound_name
- MolClass ID
- 38405
- InChIKey
- JJPYDYBPZUXWLA-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCC1))Cc3cccc4OCOc34
- Standard InChI
- InChI=1S/C19H28N2O3/c22-11-8-17-13-20(9-10-21(17)16-5-1-2-6-16)12-15-4-3-7-18-19(15)24-14-23-18/h3-4,7,16-17,22H,1-2,5-6,8-14H2
- Stored Murcko scaffold
- O1c2cccc(c2OC1)CN3CCN(CC3)C4CCCC4
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
- 5
- 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
- 1.85
- 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 · 24800599