Molecule card · MolClass #37833
24828594
24828594: 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
- 24828594Mitochondrial Fusion · compound_name
- MolClass ID
- 37833
- InChIKey
- Not recorded
- Canonical SMILES
- c1ccc(cc1)C(=NNc2ccc(cc2)Br)N=Nc3nn[nH]n3
- Standard InChI
- null
- Stored Murcko scaffold
- n1nc(N=NC(=NNc2ccccc2)c3ccccc3)n[nH]1
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.
- 24828594#26539
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- 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
- 103.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.195 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.252
- 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 · 24828594