Molecule card · MolClass #36231
4262751
4262751: 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
- 4262751Mitochondrial Fusion · compound_name
- MolClass ID
- 36231
- InChIKey
- UGOSYCFERMLZKB-UHFFFAOYSA-N
- Canonical SMILES
- c1ccn3c(c1)nnc3(c2cccs2)
- Standard InChI
- InChI=1S/C10H7N3S/c1-2-6-13-9(5-1)11-12-10(13)8-4-3-7-14-8/h1-7H
- Stored Murcko scaffold
- n1nc(-c2sccc2)n3ccccc13
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 201.249 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.787
- 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 · 4262751