Molecule card · MolClass #42279
24805524
24805524: 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
- 24805524Mitochondrial Fusion · compound_name
- MolClass ID
- 42279
- InChIKey
- WUNSCSKYJLIQBI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC(N1CCOCC1)C(Cl)(Cl)Cl)c2ccco2
- Standard InChI
- InChI=1S/C11H13Cl3N2O3/c12-11(13,14)10(16-3-6-18-7-4-16)15-9(17)8-2-1-5-19-8/h1-2,5,10H,3-4,6-7H2,(H,15,17)
- Stored Murcko scaffold
- o1cccc1[CH]NCN2CCOCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.592 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.59
- 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 · 24805524