Molecule card · MolClass #44270
4264494
4264494: 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
- 4264494Mitochondrial Fusion · compound_name
- MolClass ID
- 44270
- InChIKey
- UVNUKMIOEIQWBO-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(c2cccc1cccnc12)n4cnc3ccccc34
- Standard InChI
- InChI=1S/C16H11N3O2S/c20-22(21,19-11-18-13-7-1-2-8-14(13)19)15-9-3-5-12-6-4-10-17-16(12)15/h1-11H
- Stored Murcko scaffold
- n1cccc2cccc(Sn3cnc4ccccc43)c12
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.771
- 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 · 4264494