Molecule card · MolClass #36360
24818571
24818571: 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
- 24818571Mitochondrial Fusion · compound_name
- MolClass ID
- 36360
- InChIKey
- ONAUSXBUFNGCCQ-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1(C)(Oc2cccnc2(NC1(=O)))
- Standard InChI
- InChI=1S/C11H12N2O4/c1-3-16-10(15)11(2)9(14)13-8-7(17-11)5-4-6-12-8/h4-6H,3H2,1-2H3,(H,12,13,14)
- Stored Murcko scaffold
- n1cccc2OC[CH]Nc12
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 236.224 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.063
- 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 · 24818571