Molecule card · MolClass #48262
4258420
4258420: 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
- 4258420Mitochondrial Fusion · compound_name
- MolClass ID
- 48262
- InChIKey
- ISLNRDBSNQKMLC-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(c1ccc(cc1)Cl)n3nc(N)nc3(n2)
- Standard InChI
- InChI=1S/C12H10ClN5/c1-7-6-10(8-2-4-9(13)5-3-8)18-12(15-7)16-11(14)17-18/h2-6H,1H3,(H2,14,17)
- Stored Murcko scaffold
- n1cnn2c1nccc2-c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.695 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.314
- 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 · 4258420