Molecule card · MolClass #42978
24784598
24784598: 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
- 24784598Mitochondrial Fusion · compound_name
- MolClass ID
- 42978
- InChIKey
- SDXVWIGIIIFEEG-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCC1))Cc4cnc(N3CCCC3)s4
- Standard InChI
- InChI=1S/C19H32N4OS/c24-12-7-17-14-21(10-11-23(17)16-5-1-2-6-16)15-18-13-20-19(25-18)22-8-3-4-9-22/h13,16-17,24H,1-12,14-15H2
- Stored Murcko scaffold
- n1cc(sc1N2CCCC2)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
- 5
- 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
- 71.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.55 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.393
- 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 · 24784598