Molecule card · MolClass #42850
24822082
24822082: 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
- 24822082Mitochondrial Fusion · compound_name
- MolClass ID
- 42850
- InChIKey
- NXNCZIWWNLCKRP-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C3C(=O)N(O)CC3(c1cccc(c1)Oc2ccccc2)
- Standard InChI
- InChI=1S/C19H19NO5/c1-2-24-19(22)17-16(12-20(23)18(17)21)13-7-6-10-15(11-13)25-14-8-4-3-5-9-14/h3-11,16-17,23H,2,12H2,1H3
- Stored Murcko scaffold
- [N]1[CH]CC(c2cccc(Oc3ccccc3)c2)C1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 341.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.34
- 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 · 24822082