Molecule card · MolClass #51608
14734163
14734163: 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
- 14734163Mitochondrial Fusion · compound_name
- MolClass ID
- 51608
- InChIKey
- WSOPHSWWJIGLAG-ZRLAZVNZSA-N
- Canonical SMILES
- O=C(CNc2cccc1ccccc12)NN=CC(=Cc3ccccc3)Br
- Standard InChI
- InChI=1S/C21H18BrN3O/c22-18(13-16-7-2-1-3-8-16)14-24-25-21(26)15-23-20-12-6-10-17-9-4-5-11-19(17)20/h1-14,23H,15H2,(H,25,26)/b18-13-,24-14+
- Stored Murcko scaffold
- N(=CC=Cc1ccccc1)N[CH]CNc2cccc3ccccc32
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 408.291 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.698
- 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 · 14734163