Molecule card · MolClass #51922
14720524
14720524: 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
- 14720524Mitochondrial Fusion · compound_name
- MolClass ID
- 51922
- InChIKey
- XNFQEPQAXDDBTN-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cc4CSC(c2c(O)ccc1ccccc12)SCc4(cc3(C))
- Standard InChI
- InChI=1S/C21H20OS2/c1-13-9-16-11-23-21(24-12-17(16)10-14(13)2)20-18-6-4-3-5-15(18)7-8-19(20)22/h3-10,21-22H,11-12H2,1-2H3
- Stored Murcko scaffold
- S1Cc2ccccc2CSC1c3cccc4ccccc43
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.516 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.906
- 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 · 14720524