Molecule card · MolClass #47804
24824435
24824435: 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
- 24824435Mitochondrial Fusion · compound_name
- MolClass ID
- 47804
- InChIKey
- DEWUTGDSFKAZLQ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)c3csc(Cc2nc(O)cs2)n3
- Standard InChI
- InChI=1S/C14H12N2O2S2/c1-18-10-4-2-9(3-5-10)11-7-19-13(15-11)6-14-16-12(17)8-20-14/h2-5,7-8,17H,6H2,1H3
- Stored Murcko scaffold
- n1ccsc1Cc2nc(cs2)-c3ccccc3
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.443
- 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 · 24824435