Molecule card · MolClass #48216
24797679
24797679: 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
- 24797679Mitochondrial Fusion · compound_name
- MolClass ID
- 48216
- InChIKey
- WKGMMBZYKMUIMI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n(n1)C(=O)c2ccc(c(F)c2(F))Cl
- Standard InChI
- InChI=1S/C12H9ClF2N2O/c1-6-5-7(2)17(16-6)12(18)8-3-4-9(13)11(15)10(8)14/h3-5H,1-2H3
- Stored Murcko scaffold
- n1cccn1[CH]c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.663 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.437
- 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 · 24797679