Molecule card · MolClass #46054
24790737
24790737: 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
- 24790737Mitochondrial Fusion · compound_name
- MolClass ID
- 46054
- InChIKey
- SYOWKLYGKDLJIT-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nc2nc(cc(n2(n1))C(F)(F)F)c3cccs3
- Standard InChI
- InChI=1S/C10H6F3N5S/c11-10(12,13)7-4-5(6-2-1-3-19-6)15-9-16-8(14)17-18(7)9/h1-4H,(H2,14,17)
- Stored Murcko scaffold
- n1cnn2ccc(nc12)-c3sccc3
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.
- 22400387#44717
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.453
- 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 · 24790737