Molecule card · MolClass #38794
22413401
22413401: 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
- 22413401Mitochondrial Fusion · compound_name
- MolClass ID
- 38794
- InChIKey
- YHASLRQFNBTSIH-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCCC(=O)C1=C2SCCS2
- Standard InChI
- InChI=1S/C9H10O2S2/c10-6-2-1-3-7(11)8(6)9-12-4-5-13-9/h1-5H2
- Stored Murcko scaffold
- S1C(SCC1)=C2[CH]CCC[CH]2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 214.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.933
- 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 · 22413401