Molecule card · MolClass #36059
17411532
17411532: 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
- 17411532Mitochondrial Fusion · compound_name
- MolClass ID
- 36059
- InChIKey
- ZBZCOMAOWSOBKS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnsc1SCC(=O)O
- Standard InChI
- InChI=1S/C5H6N2O2S2/c1-3-5(11-7-6-3)10-2-4(8)9/h2H2,1H3,(H,8,9)
- Stored Murcko scaffold
- n1nccs1
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
- 4
- 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
- 116.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 190.246 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.445
- 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 · 17411532