Molecule card · MolClass #36459
14732039
14732039: 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
- 14732039Mitochondrial Fusion · compound_name
- MolClass ID
- 36459
- InChIKey
- MQXKSHFGLDKJCV-UHFFFAOYSA-N
- Canonical SMILES
- Cn3nc(nc3(Oc1ccc2ccccc2(c1)))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H10N4O3/c1-16-13(14-12(15-16)17(18)19)20-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
- Stored Murcko scaffold
- n1cnc(Oc2ccc3ccccc3c2)[nH]1
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
- 2
- 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
- 83.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.354
- 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 · 14732039