Molecule card · MolClass #42288
4265879
4265879: 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
- 4265879Mitochondrial Fusion · compound_name
- MolClass ID
- 42288
- InChIKey
- BYWYICLTMSHRNI-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1ccccc1)C2CC(=O)N(CC(=O)O)C2(=O)
- Standard InChI
- InChI=1S/C14H15NO4/c1-9(10-5-3-2-4-6-10)11-7-12(16)15(14(11)19)8-13(17)18/h2-6,9,11H,7-8H2,1H3,(H,17,18)
- Stored Murcko scaffold
- [N]1[CH]CC([CH]1)Cc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.274 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.37
- 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 · 4265879