Molecule card · MolClass #41874
14726879
14726879: 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
- 14726879Mitochondrial Fusion · compound_name
- MolClass ID
- 41874
- InChIKey
- ONYAAQDUKAPFTP-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C=C(O)N(c1ccccc1)C(N2)=S
- Standard InChI
- InChI=1S/C10H8N2O2S/c13-8-6-9(14)12(10(15)11-8)7-4-2-1-3-5-7/h1-6,14H,(H,11,13,15)
- Stored Murcko scaffold
- c1ccc(cc1)N2C=C[CH]N[CH]2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.249 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.973
- 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 · 14726879