Molecule card · MolClass #39269
4258929
4258929: 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
- 4258929Mitochondrial Fusion · compound_name
- MolClass ID
- 39269
- InChIKey
- UOEKWXYCGHPOMF-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCc3ccc(c1ccc(F)cc1)n3(NC(=O)c2ccco2)
- Standard InChI
- InChI=1S/C18H15FN2O4/c19-13-5-3-12(4-6-13)15-9-7-14(8-10-17(22)23)21(15)20-18(24)16-2-1-11-25-16/h1-7,9,11H,8,10H2,(H,20,24)(H,22,23)
- Stored Murcko scaffold
- o1cccc1[CH]Nn2cccc2-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.195
- 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 · 4258929