Molecule card · MolClass #37883
24781331
24781331: 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
- 24781331Mitochondrial Fusion · compound_name
- MolClass ID
- 37883
- InChIKey
- NFQUIEVQHKBGOR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)NC(=O)C(C)n2cc(cn2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C12H13N5O3/c1-8-4-3-5-11(14-8)15-12(18)9(2)16-7-10(6-13-16)17(19)20/h3-7,9H,1-2H3,(H,14,15,18)
- Stored Murcko scaffold
- n1ccccc1N[CH]Cn2nccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.869
- 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 · 24781331