Molecule card · MolClass #43905
24806496
24806496: 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
- 24806496Mitochondrial Fusion · compound_name
- MolClass ID
- 43905
- InChIKey
- GYTYZPUANOPING-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc2cccc1ccccc12)c3cnsn3
- Standard InChI
- InChI=1S/C13H9N3OS/c17-13(12-8-14-18-16-12)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,15,17)
- Stored Murcko scaffold
- n1snc(c1)[CH]Nc2cccc3ccccc32
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.
No other molecules currently have this stored scaffold.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 255.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.696
- 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 · 24806496