Molecule card · MolClass #48936
24840308
24840308: 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
- 24840308Mitochondrial Fusion · compound_name
- MolClass ID
- 48936
- InChIKey
- MUEJPLOMHIPDET-FYJGNVAPSA-N
- Canonical SMILES
- c1ccc(cc1)c4cn(N=Cc3cccc2ccccc23)c(n4)S
- Standard InChI
- InChI=1S/C20H15N3S/c24-20-22-19(16-8-2-1-3-9-16)14-23(20)21-13-17-11-6-10-15-7-4-5-12-18(15)17/h1-14H,(H,22,24)/b21-13+
- Stored Murcko scaffold
- n1cn(N=Cc2cccc3ccccc23)cc1-c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.98 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.42 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.808
- 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 · 24840308