Molecule card · MolClass #48960
24831648
24831648: 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
- 24831648Mitochondrial Fusion · compound_name
- MolClass ID
- 48960
- InChIKey
- POCJUFFRQYOWGM-UHFFFAOYSA-N
- Canonical SMILES
- C=CCN1C(=O)c2c(csc2(NC1=S))c3ccc(C)o3
- Standard InChI
- InChI=1S/C14H12N2O2S2/c1-3-6-16-13(17)11-9(10-5-4-8(2)18-10)7-20-12(11)15-14(16)19/h3-5,7H,1,6H2,2H3,(H,15,19)
- Stored Murcko scaffold
- [N]1[CH]Nc2scc(-c3occc3)c2[CH]1
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.584
- 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 · 24831648