Molecule card · MolClass #46790
14730165
14730165: 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
- 14730165Mitochondrial Fusion · compound_name
- MolClass ID
- 46790
- InChIKey
- BUQDPBBJVBEEBI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)NNc2nc3ccccc3(nc2C(F)(F)F)
- Standard InChI
- InChI=1S/C16H13F3N4O2S/c1-10-6-8-11(9-7-10)26(24,25)23-22-15-14(16(17,18)19)20-12-4-2-3-5-13(12)21-15/h2-9,23H,1H3,(H,21,22)
- Stored Murcko scaffold
- n1cc(nc2ccccc12)NNSc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.362 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.316
- 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 · 14730165