Molecule card · MolClass #42199
24797544
24797544: 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
- 24797544Mitochondrial Fusion · compound_name
- MolClass ID
- 42199
- InChIKey
- ZAZIMXHSFQDZMS-UHFFFAOYSA-N
- Canonical SMILES
- Cn1cc(c(n1)C(=O)Nc2nccs2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C8H7N5O3S/c1-12-4-5(13(15)16)6(11-12)7(14)10-8-9-2-3-17-8/h2-4H,1H3,(H,9,10,14)
- Stored Murcko scaffold
- n1ccsc1N[CH]c2n[nH]cc2
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.
- 24788063#43872
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 131.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.239 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.275
- 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 · 24797544