Molecule card · MolClass #39860
17410814
17410814: 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
- 17410814Mitochondrial Fusion · compound_name
- MolClass ID
- 39860
- InChIKey
- QEYQECQAZMIWSQ-BQYQJAHWSA-N
- Canonical SMILES
- Cc2nnc(nc2(C=CNc1ccc(F)cc1))SC
- Standard InChI
- InChI=1S/C13H13FN4S/c1-9-12(16-13(19-2)18-17-9)7-8-15-11-5-3-10(14)4-6-11/h3-8,15H,1-2H3/b8-7+
- Stored Murcko scaffold
- n1ncc(nc1)C=CNc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.334 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.091
- 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 · 17410814