Molecule card · MolClass #44353
24821231
24821231: 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
- 24821231Mitochondrial Fusion · compound_name
- MolClass ID
- 44353
- InChIKey
- CFTQNBKLHHGXTI-UHFFFAOYSA-N
- Canonical SMILES
- CCOC=1CC(=O)N(N=1)c2ncc(cc2Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C11H9ClF3N3O2/c1-2-20-8-4-9(19)18(17-8)10-7(12)3-6(5-16-10)11(13,14)15/h3,5H,2,4H2,1H3
- Stored Murcko scaffold
- n1ccccc1N2N=CC[CH]2
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.
- 22403535#46317
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.657 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.987
- 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 · 24821231