Molecule card · MolClass #37143
24821448
24821448: 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
- 24821448Mitochondrial Fusion · compound_name
- MolClass ID
- 37143
- InChIKey
- QWKWBSFRUIISGJ-POHAHGRESA-N
- Canonical SMILES
- ON=Cc1cccn1c2nccs2
- Standard InChI
- InChI=1S/C8H7N3OS/c12-10-6-7-2-1-4-11(7)8-9-3-5-13-8/h1-6,12H/b10-6-
- Stored Murcko scaffold
- n1ccsc1-n2cccc2
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.
- 24819808#26238
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- 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
- 78.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 193.227 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.213
- 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 · 24821448