Molecule card · MolClass #52264
3714376
3714376: 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
- 3714376Mitochondrial Fusion · compound_name
- MolClass ID
- 52264
- InChIKey
- UZWPULKPZLNEGI-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1cc(nc2onc(C)c12)c3ccc4OCOc4(c3)
- Standard InChI
- InChI=1S/C17H14N2O5/c1-3-21-17(20)11-7-12(18-16-15(11)9(2)19-24-16)10-4-5-13-14(6-10)23-8-22-13/h4-7H,3,8H2,1-2H3
- Stored Murcko scaffold
- n1oc2nc(ccc2c1)-c3ccc4OCOc4c3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.634
- 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 · 3714376