Molecule card · MolClass #47150
24796869
24796869: 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
- 24796869Mitochondrial Fusion · compound_name
- MolClass ID
- 47150
- InChIKey
- LXCCACRYPWTQMV-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc3ncnn3(c(O)c2(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]))
- Standard InChI
- InChI=1S/C12H10N6O5S/c1-7-10(11(19)17-12(15-7)13-6-14-17)16-24(22,23)9-4-2-8(3-5-9)18(20)21/h2-6,16,19H,1H3
- Stored Murcko scaffold
- n1cnn2cc(cnc12)NSc3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 161 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.312 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.333
- 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 · 24796869