Molecule card · MolClass #38168
4262190
4262190: 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
- 4262190Mitochondrial Fusion · compound_name
- MolClass ID
- 38168
- InChIKey
- Not recorded
- Canonical SMILES
- CC(C)c1ccc(cc1)c2nc3C(=O)N(C)C(=O)N(C)c3([nH]2)
- Standard InChI
- null
- Stored Murcko scaffold
- n1cnc2[nH]c(nc2c1)-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.
- ZINC01745773#23864
- 14734380#29592
- 17401580#36541
- 14734380#36597
- 8139963#37280
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.34 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.901
- 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 · 4262190