Molecule card · MolClass #38538
17410498
17410498: 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
- 17410498Mitochondrial Fusion · compound_name
- MolClass ID
- 38538
- InChIKey
- VTABKYKBOBZWCE-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(Cc1cnc(Cl)s1)c2ccccc2
- Standard InChI
- InChI=1S/C10H8ClNO2S2/c11-10-12-6-8(15-10)7-16(13,14)9-4-2-1-3-5-9/h1-6H,7H2
- Stored Murcko scaffold
- n1csc(c1)CSc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.762 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.44
- 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 · 17410498