Molecule card · MolClass #44710
4247955
4247955: 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
- 4247955Mitochondrial Fusion · compound_name
- MolClass ID
- 44710
- InChIKey
- JLISORSSNGOKHR-UHFFFAOYSA-N
- Canonical SMILES
- Cn1cnc(c1)S(=O)(=O)NCc2cccs2
- Standard InChI
- InChI=1S/C9H11N3O2S2/c1-12-6-9(10-7-12)16(13,14)11-5-8-3-2-4-15-8/h2-4,6-7,11H,5H2,1H3
- Stored Murcko scaffold
- n1c[nH]cc1SNCc2sccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.211
- 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 · 4247955