Molecule card · MolClass #50252
22401243
22401243: 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
- 22401243Mitochondrial Fusion · compound_name
- MolClass ID
- 50252
- InChIKey
- Not recorded
- Canonical SMILES
- O=C(NN=Cc1c[nH]c2ccccc12)c5[nH]c3ccc(cc3c5(c4ccccc4))Br
- Standard InChI
- null
- Stored Murcko scaffold
- N(=Cc1c[nH]c2ccccc12)N[CH]c3[nH]c4ccccc4c3-c5ccccc5
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 457.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.887
- 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 · 22401243