Molecule card · MolClass #35835
22407488
22407488: 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
- 22407488Mitochondrial Fusion · compound_name
- MolClass ID
- 35835
- InChIKey
- ZSRNFDIKJFSVFF-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c2cc1COCOc1c(c2)CSc4nnc3ccccn34
- Standard InChI
- InChI=1S/C15H12N4O4S/c20-19(21)12-5-10-7-22-9-23-14(10)11(6-12)8-24-15-17-16-13-3-1-2-4-18(13)15/h1-6H,7-9H2
- Stored Murcko scaffold
- n1nc2ccccn2c1SCc3cccc4c3OCOC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.347 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.414
- 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 · 22407488