Molecule card · MolClass #43629
14723919
14723919: 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
- 14723919Mitochondrial Fusion · compound_name
- MolClass ID
- 43629
- InChIKey
- PDYTVCBMTYEETA-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c2cnccc2(Nc1ccccc1)
- Standard InChI
- InChI=1S/C11H9N3O2/c15-14(16)11-8-12-7-6-10(11)13-9-4-2-1-3-5-9/h1-8H,(H,12,13)
- Stored Murcko scaffold
- n1ccc(cc1)Nc2ccccc2
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
- 2
- 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
- 68.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 215.208 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.732
- 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 · 14723919