Molecule card · MolClass #36394
24790107
24790107: 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
- 24790107Mitochondrial Fusion · compound_name
- MolClass ID
- 36394
- InChIKey
- Not recorded
- Canonical SMILES
- O=C(O)C2Cc1[nH]cnc1C(N2)c3cccc(c3)[N+](=O)[O-]
- Standard InChI
- null
- Stored Murcko scaffold
- n1c[nH]c2c1C(NCC2)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 121.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.259 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.663
- 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 · 24790107