Molecule card · MolClass #35864
847574
847574: 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
- 847574Mitochondrial Fusion · compound_name
- MolClass ID
- 35864
- InChIKey
- WZNXAPOURYLMKA-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1c2ncnc(O)c2(ns1)
- Standard InChI
- InChI=1S/C8H7N3O3S/c1-2-14-8(13)6-4-5(11-15-6)7(12)10-3-9-4/h3H,2H2,1H3,(H,9,10,12)
- Stored Murcko scaffold
- n1cnc2csnc2c1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.226 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.77
- 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 · 847574