Molecule card · MolClass #37538
24810905
24810905: 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
- 24810905Mitochondrial Fusion · compound_name
- MolClass ID
- 37538
- InChIKey
- ZBYPTYRALOGNKA-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C(=S)SC1=CCS(=O)(=O)C1
- Standard InChI
- InChI=1S/C9H15NO2S3/c1-3-10(4-2)9(13)14-8-5-6-15(11,12)7-8/h5H,3-4,6-7H2,1-2H3
- Stored Murcko scaffold
- S1CC=CC1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.42 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.154
- 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 · 24810905