Molecule card · MolClass #39562
14720641
14720641: 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
- 14720641Mitochondrial Fusion · compound_name
- MolClass ID
- 39562
- InChIKey
- FSBMSOUGCFEYBD-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC(n2nc(cc2(N1))C(=O)O)C(F)(F)F
- Standard InChI
- InChI=1S/C9H10F3N3O2/c1-4-2-6(9(10,11)12)15-7(13-4)3-5(14-15)8(16)17/h3-4,6,13H,2H2,1H3,(H,16,17)
- Stored Murcko scaffold
- n1ccc2NCCCn12
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.19 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.672
- 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 · 14720641