Molecule card · MolClass #39865
24796366
24796366: 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
- 24796366Mitochondrial Fusion · compound_name
- MolClass ID
- 39865
- InChIKey
- REPQLWKCRKPPPV-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(CC(=O)Nc1nccs1)c(C)c2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H11N5O3S/c1-6-9(15(17)18)7(2)14(13-6)5-8(16)12-10-11-3-4-19-10/h3-4H,5H2,1-2H3,(H,11,12,16)
- Stored Murcko scaffold
- n1ccsc1N[CH]Cn2nccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 131.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.293 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.541
- 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 · 24796366