Molecule card · MolClass #36405
14730939
14730939: 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
- 14730939Mitochondrial Fusion · compound_name
- MolClass ID
- 36405
- InChIKey
- DKEDPTHWDLKTQQ-UHFFFAOYSA-N
- Canonical SMILES
- Cn1nc(nc1Sc2nnc(o2)c3ccccc3)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C11H8N6O3S/c1-16-10(12-9(15-16)17(18)19)21-11-14-13-8(20-11)7-5-3-2-4-6-7/h2-6H,1H3
- Stored Murcko scaffold
- n1nc(oc1Sc2ncn[nH]2)-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 138.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.2
- 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 · 14730939