Molecule card · MolClass #44730
14745373
14745373: 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
- 14745373Mitochondrial Fusion · compound_name
- MolClass ID
- 44730
- InChIKey
- BNOQHEDAOWZXAF-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ncc(CC(=O)n1cc(cn1)C(=O)c2cc(F)ccc2(O))s3
- Standard InChI
- InChI=1S/C16H12FN3O3S/c1-9-18-7-12(24-9)5-15(22)20-8-10(6-19-20)16(23)13-4-11(17)2-3-14(13)21/h2-4,6-8,21H,5H2,1H3
- Stored Murcko scaffold
- n1csc(c1)C[CH]n2ncc([CH]c3ccccc3)c2
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.
- 3717942#44210
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.6
- 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 · 14745373