Molecule card · MolClass #44494
14744442
14744442: 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
- 14744442Mitochondrial Fusion · compound_name
- MolClass ID
- 44494
- InChIKey
- BZXLOYRFGDBUGS-UHFFFAOYSA-N
- Canonical SMILES
- O=S3(=O)(N=C(Nc1ccccc1)Sc2ccc(F)cc23)
- Standard InChI
- InChI=1S/C13H9FN2O2S2/c14-9-6-7-11-12(8-9)20(17,18)16-13(19-11)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
- Stored Murcko scaffold
- N=1Sc2ccccc2SC1Nc3ccccc3
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.
- 16953782#45783
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
- 92.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.067
- 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 · 14744442