Molecule card · MolClass #51998
7972988
7972988: 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
- 7972988Mitochondrial Fusion · compound_name
- MolClass ID
- 51998
- InChIKey
- ZLIRQUKNUPCUDB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)c3nc(Nc2nccs2)sc3Cl
- Standard InChI
- InChI=1S/C13H10ClN3O2S3/c1-8-2-4-9(5-3-8)22(18,19)11-10(14)21-13(16-11)17-12-15-6-7-20-12/h2-7H,1H3,(H,15,16,17)
- Stored Murcko scaffold
- n1ccsc1Nc2nc(Sc3ccccc3)cs2
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
- 5
- 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
- 136.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.889 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.36
- 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 · 7972988