Molecule card · MolClass #37077
24780929
24780929: 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
- 24780929Mitochondrial Fusion · compound_name
- MolClass ID
- 37077
- InChIKey
- ZLLKUJXFTGLMNG-UHFFFAOYSA-N
- Canonical SMILES
- Cn3ncc(c3(C(=O)n2nnc1ccccc12))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C11H8N6O3/c1-15-10(9(6-12-15)17(19)20)11(18)16-8-5-3-2-4-7(8)13-14-16/h2-6H,1H3
- Stored Murcko scaffold
- n1nn([CH]c2ccn[nH]2)c3ccccc13
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
- 4
- 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
- 108.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.22 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.288
- 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 · 24780929