Molecule card · MolClass #37990
24818268
24818268: 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
- 24818268Mitochondrial Fusion · compound_name
- MolClass ID
- 37990
- InChIKey
- JOTRBOXKCFHVLY-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C(=O)c2c(C)cc1ccccn12
- Standard InChI
- InChI=1S/C13H13NO3/c1-3-17-13(16)12(15)11-9(2)8-10-6-4-5-7-14(10)11/h4-8H,3H2,1-2H3
- Stored Murcko scaffold
- c1ccn2cccc2c1
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 231.248 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.709
- 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 · 24818268