Molecule card · MolClass #15951
1986843
1986843: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4250773Mitochondrial Fusion · compound_name
- MolClass ID
- 15951
- InChIKey
- HYXXORLKYUZUGN-UHFFFAOYSA-N
- Canonical SMILES
- c1cc4OCOc4(cc1c2cn3ccsc3(n2))
- Standard InChI
- InChI=1S/C12H8N2O2S/c1-2-10-11(16-7-15-10)5-8(1)9-6-14-3-4-17-12(14)13-9/h1-6H,7H2
- Stored Murcko scaffold
- n1c(cn2ccsc12)-c3ccc4OCOc4c3
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.271 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.668
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1986843
Mitochondrial Fusion
Dataset #19 · 4250773