Molecule card · MolClass #44258
14727399
14727399: 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
- 14727399Mitochondrial Fusion · compound_name
- MolClass ID
- 44258
- InChIKey
- KVRYHKFDFZINKK-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)c1cnn2c(cc(nc12)C(F)F)C(F)F
- Standard InChI
- InChI=1S/C9H5F4N3O2/c10-6(11)4-1-5(7(12)13)16-8(15-4)3(2-14-16)9(17)18/h1-2,6-7H,(H,17,18)
- Stored Murcko scaffold
- n1cccn2nccc12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.149 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.456
- 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 · 14727399