Molecule card · MolClass #37231
24811107
24811107: 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
- 24811107Mitochondrial Fusion · compound_name
- MolClass ID
- 37231
- InChIKey
- HICMGWSIDYMLKV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(n1)NC(=O)Cn2cc(cn2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C11H11N5O3/c1-8-3-2-4-10(13-8)14-11(17)7-15-6-9(5-12-15)16(18)19/h2-6H,7H2,1H3,(H,13,14,17)
- 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
- 261.237 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.343
- 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 · 24811107