Molecule card · MolClass #39891
14731986
14731986: 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
- 14731986Mitochondrial Fusion · compound_name
- MolClass ID
- 39891
- InChIKey
- UKLQYKNOMJVPTR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(nn1C(=O)c2cccnc2Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C11H7ClF3N3O/c1-6-5-8(11(13,14)15)17-18(6)10(19)7-3-2-4-16-9(7)12/h2-5H,1H3
- Stored Murcko scaffold
- n1cccc(c1)[CH]n2nccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.641 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.651
- 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 · 14731986