Molecule card · MolClass #50264
22401002
22401002: 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
- 22401002Mitochondrial Fusion · compound_name
- MolClass ID
- 50264
- InChIKey
- CUOUZTHBEOBXGD-UHFFFAOYSA-N
- Canonical SMILES
- O=C(OC(c1ccc(cc1)NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)c3ccccc3
- Standard InChI
- InChI=1S/C22H15F6NO4S/c23-21(24,25)20(22(26,27)28,33-19(30)15-7-3-1-4-8-15)16-11-13-17(14-12-16)29-34(31,32)18-9-5-2-6-10-18/h1-14,29H
- Stored Murcko scaffold
- O([CH]c1ccccc1)Cc2ccc(cc2)NSc3ccccc3
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.
- 22402007#50244
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 503.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.001
- 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 · 22401002