Molecule card · MolClass #42231
24795797
24795797: 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
- 24795797Mitochondrial Fusion · compound_name
- MolClass ID
- 42231
- InChIKey
- HANKTRCKJCDBRQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)nc(n1)Sc2ncnc(N)c2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H10N6O2S/c1-5-3-6(2)15-10(14-5)19-9-7(16(17)18)8(11)12-4-13-9/h3-4H,1-2H3,(H2,11,12,13)
- Stored Murcko scaffold
- n1cnc(Sc2ncccn2)cc1
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.
- 24793963#42083
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 146.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.1
- 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 · 24795797