Molecule card · MolClass #50734
17434117
17434117: 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
- 17434117Mitochondrial Fusion · compound_name
- MolClass ID
- 50734
- InChIKey
- KFHIQNFNFDGOKB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)Nc3ccccc3(CNc2ccc(cn2)Br)
- Standard InChI
- InChI=1S/C19H18BrN3O2S/c1-14-6-9-17(10-7-14)26(24,25)23-18-5-3-2-4-15(18)12-21-19-11-8-16(20)13-22-19/h2-11,13,23H,12H2,1H3,(H,21,22)
- Stored Murcko scaffold
- n1ccccc1NCc2ccccc2NSc3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 432.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.782
- 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 · 17434117