Molecule card · MolClass #37486
4262665
4262665: 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
- 4262665Mitochondrial Fusion · compound_name
- MolClass ID
- 37486
- InChIKey
- Not recorded
- Canonical SMILES
- CCCc4n[nH]c5OC(N)=C(C#N)C(c1ccc(OC)c(c1)Cn3nnc2ccccc23)c45
- Standard InChI
- null
- Stored Murcko scaffold
- n1nn(c2ccccc12)Cc3cccc(c3)C4C=COc5[nH]ncc54
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.
- 7974088#37438
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 127.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 441.486 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.968
- 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 · 4262665