Molecule card · MolClass #35595
4263706
4263706: 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
- 4263706Mitochondrial Fusion · compound_name
- MolClass ID
- 35595
- InChIKey
- VMQXMGIQULYKKC-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CON2C(=O)C=[N+]([O-])c1ccccc12
- Standard InChI
- InChI=1S/C12H12N2O5/c1-2-18-12(16)8-19-14-10-6-4-3-5-9(10)13(17)7-11(14)15/h3-7H,2,8H2,1H3
- Stored Murcko scaffold
- n1cc[nH+]c2ccccc12
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.235 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.305
- 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 · 4263706