Molecule card · MolClass #45687
24792364
24792364: 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
- 24792364Mitochondrial Fusion · compound_name
- MolClass ID
- 45687
- InChIKey
- FLZZTUOYXMSHAI-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccc(nn1)c3nnc(n3(c2ccc(F)c(c2)Cl))S
- Standard InChI
- InChI=1S/C12H7ClFN5OS/c13-7-5-6(1-2-8(7)14)19-11(17-18-12(19)21)9-3-4-10(20)16-15-9/h1-5H,(H,16,20)(H,18,21)
- Stored Murcko scaffold
- n1nc(ccc1)-c2nncn2-c3ccccc3
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.
- 24790249#26744
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.735 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.372
- 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 · 24792364