Molecule card · MolClass #47092
24823596
24823596: 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
- 24823596Mitochondrial Fusion · compound_name
- MolClass ID
- 47092
- InChIKey
- DSYKGVBDZZCIRI-OVCLIPMQSA-N
- Canonical SMILES
- Oc3ccc(cc3(C=NNC1=NS(=O)(=O)c2ccccc12))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H10N4O5S/c19-12-6-5-10(18(20)21)7-9(12)8-15-16-14-11-3-1-2-4-13(11)24(22,23)17-14/h1-8,19H,(H,16,17)/b15-8+
- Stored Murcko scaffold
- n1sc2ccccc2c1NN=Cc3ccccc3
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
- 6
- 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
- 142.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.247
- 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 · 24823596