Molecule card · MolClass #37826
24781340
24781340: 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
- 24781340Mitochondrial Fusion · compound_name
- MolClass ID
- 37826
- InChIKey
- ZQWHYNXBERGPLL-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)c3nnn(c1nonc1(N))c3(c2ccc(cc2)[N+](=O)[O-])
- Standard InChI
- InChI=1S/C11H8N8O4/c12-9-11(16-23-15-9)18-8(7(10(13)20)14-17-18)5-1-3-6(4-2-5)19(21)22/h1-4H,(H2,12,15)(H2,13,20)
- Stored Murcko scaffold
- n1nn(-c2nonc2)c(c1)-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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 181.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.233 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.086
- 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 · 24781340