Molecule card · MolClass #35665
860508
860508: 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
- 860508Mitochondrial Fusion · compound_name
- MolClass ID
- 35665
- InChIKey
- GRUDNJWCIFKAFB-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc3NC(Nc1ccccc1)Sn3(n2)
- Standard InChI
- InChI=1S/C11H12N4S/c1-8-7-10-13-11(16-15(10)14-8)12-9-5-3-2-4-6-9/h2-7,11-13H,1H3
- Stored Murcko scaffold
- n1ccc2NC(Sn12)Nc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.73
- 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 · 860508