Molecule card · MolClass #39254
4241929
4241929: 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
- 4241929Mitochondrial Fusion · compound_name
- MolClass ID
- 39254
- InChIKey
- SLFLLVSYUUFABL-UHFFFAOYSA-N
- Canonical SMILES
- CCS(=O)(=O)NCc1cn2ccsc2(n1)
- Standard InChI
- InChI=1S/C8H11N3O2S2/c1-2-15(12,13)9-5-7-6-11-3-4-14-8(11)10-7/h3-4,6,9H,2,5H2,1H3
- Stored Murcko scaffold
- n1ccn2ccsc12
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
- 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
- 100.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.777
- 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 · 4241929