Molecule card · MolClass #37919
17409935
17409935: 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
- 17409935Mitochondrial Fusion · compound_name
- MolClass ID
- 37919
- InChIKey
- CKESBLLQRJJWSE-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(OC(=O)c1ccc(F)cc1)c3nncn3(n2)
- Standard InChI
- InChI=1S/C13H9FN4O2/c1-8-6-11(12-16-15-7-18(12)17-8)20-13(19)9-2-4-10(14)5-3-9/h2-7H,1H3
- Stored Murcko scaffold
- n1nc2c(O[CH]c3ccccc3)ccnn2c1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.235 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.308
- 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 · 17409935