Molecule card · MolClass #41929
14740593
14740593: 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
- 14740593Mitochondrial Fusion · compound_name
- MolClass ID
- 41929
- InChIKey
- FSDUGLDXWYABRW-UHFFFAOYSA-N
- Canonical SMILES
- NC1=NS(=O)(=O)NC1c2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C8H8ClN3O2S/c9-6-3-1-5(2-4-6)7-8(10)12-15(13,14)11-7/h1-4,7,11H,(H2,10,12)
- Stored Murcko scaffold
- N=1SNC(C1)c2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.687 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.464
- 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 · 14740593