Molecule card · MolClass #50258
22401143
22401143: 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
- 22401143Mitochondrial Fusion · compound_name
- MolClass ID
- 50258
- InChIKey
- NQSCBKIUPMTLEE-FOWTUZBSSA-N
- Canonical SMILES
- CC1=CC(CC(C)(C)C1)=NNc2ccccc2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C15H19N3O2/c1-11-8-12(10-15(2,3)9-11)16-17-13-6-4-5-7-14(13)18(19)20/h4-8,17H,9-10H2,1-3H3/b16-12+
- Stored Murcko scaffold
- N(Nc1ccccc1)=C2C=CCCC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.355
- 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 · 22401143