Molecule card · MolClass #46317
22403535
22403535: 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
- 22403535Mitochondrial Fusion · compound_name
- MolClass ID
- 46317
- InChIKey
- QFZNPPLSJURITG-UHFFFAOYSA-N
- Canonical SMILES
- CC=1CC(=O)N(N=1)c2ccc(cn2)C(F)(F)F
- Standard InChI
- InChI=1S/C10H8F3N3O/c1-6-4-9(17)16(15-6)8-3-2-7(5-14-8)10(11,12)13/h2-3,5H,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.
- 24821231#44353
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 45.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.186 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.886
- 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 · 22403535