Molecule card · MolClass #51511
14738892
14738892: 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
- 14738892Mitochondrial Fusion · compound_name
- MolClass ID
- 51511
- InChIKey
- QAJSCHRUFKSMAI-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(NCCc1csc(n1)c2ccc(cc2)C(F)(F)F)c3ccc4OCCOc4(c3)
- Standard InChI
- InChI=1S/C20H17F3N2O4S2/c21-20(22,23)14-3-1-13(2-4-14)19-25-15(12-30-19)7-8-24-31(26,27)16-5-6-17-18(11-16)29-10-9-28-17/h1-6,11-12,24H,7-10H2
- Stored Murcko scaffold
- n1c(scc1CCNSc2ccc3OCCOc3c2)-c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 114.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 470.488 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.485
- 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 · 14738892