Molecule card · MolClass #37236
14742230
14742230: 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
- 14742230Mitochondrial Fusion · compound_name
- MolClass ID
- 37236
- InChIKey
- DWEOXCBHHOUPLU-UHFFFAOYSA-N
- Canonical SMILES
- CC2(C)(OC(=O)C(N=Nc1ccc(O)cc1)=C(O)O2)
- Standard InChI
- InChI=1S/C12H12N2O5/c1-12(2)18-10(16)9(11(17)19-12)14-13-7-3-5-8(15)6-4-7/h3-6,15-16H,1-2H3
- Stored Murcko scaffold
- N(=Nc1ccccc1)C=2[CH]OCOC2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.235 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.444
- 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 · 14742230