Molecule card · MolClass #50443
17513846
17513846: 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
- 17513846Mitochondrial Fusion · compound_name
- MolClass ID
- 50443
- InChIKey
- ODSGWCRAQSRWFO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)n4c2ccc(cc2c3nc(C)sc34)Cl
- Standard InChI
- InChI=1S/C17H13ClN2O2S2/c1-10-3-6-13(7-4-10)24(21,22)20-15-8-5-12(18)9-14(15)16-17(20)23-11(2)19-16/h3-9H,1-2H3
- Stored Murcko scaffold
- n1csc2c1c3ccccc3n2Sc4ccccc4
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.
- 17513830#50459
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.883 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.688
- 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 · 17513846