Molecule card · MolClass #42528
14733824
14733824: 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
- 14733824Mitochondrial Fusion · compound_name
- MolClass ID
- 42528
- InChIKey
- WXZIOXZQBZKBOW-UHFFFAOYSA-N
- Canonical SMILES
- CCc3ccccc3(NC(=O)c1cc2ncc(cn2(n1))Br)
- Standard InChI
- InChI=1S/C15H13BrN4O/c1-2-10-5-3-4-6-12(10)18-15(21)13-7-14-17-8-11(16)9-20(14)19-13/h3-9H,2H2,1H3,(H,18,21)
- Stored Murcko scaffold
- n1cccn2nc([CH]Nc3ccccc3)cc12
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.194 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.916
- 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 · 14733824