Molecule card · MolClass #41910
852271
852271: 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
- 852271Mitochondrial Fusion · compound_name
- MolClass ID
- 41910
- InChIKey
- LYHDDQSUMYQBNO-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(=O)N(C)C2C1N(C)S(=O)(=O)N2(C)
- Standard InChI
- InChI=1S/C7H14N4O3S/c1-8-5-6(9(2)7(8)12)11(4)15(13,14)10(5)3/h5-6H,1-4H3
- Stored Murcko scaffold
- [N]1[CH][N]C2NSNC12
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.424
- 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 · 852271