Molecule card · MolClass #43825
847122
847122: 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
- 847122Mitochondrial Fusion · compound_name
- MolClass ID
- 43825
- InChIKey
- STSZELICBFRQES-UHFFFAOYSA-N
- Canonical SMILES
- CC(C(=O)O)N1C(=O)CSC1=S
- Standard InChI
- InChI=1S/C6H7NO3S2/c1-3(5(9)10)7-4(8)2-12-6(7)11/h3H,2H2,1H3,(H,9,10)
- Stored Murcko scaffold
- [N]1[CH]SC[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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 205.257 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -2.572
- 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 · 847122