Molecule card · MolClass #35609
24789393
24789393: 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
- 24789393Mitochondrial Fusion · compound_name
- MolClass ID
- 35609
- InChIKey
- YLJWWMWFYYJRNS-UHFFFAOYSA-N
- Canonical SMILES
- Cn1cnnc1Sc2nc(nn2(C))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C6H7N7O2S/c1-11-3-7-9-6(11)16-5-8-4(13(14)15)10-12(5)2/h3H,1-2H3
- Stored Murcko scaffold
- n1nc(Sc2ncn[nH]2)[nH]c1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 129.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.232 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.661
- 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 · 24789393