Molecule card · MolClass #36298
24810803
24810803: 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
- 24810803Mitochondrial Fusion · compound_name
- MolClass ID
- 36298
- InChIKey
- HBOOCFJYMUUABG-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(nn2(CCCC(=O)Nc1cccnc1Cl))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H14ClN5O3/c1-9-8-11(19(21)22)17-18(9)7-3-5-12(20)16-10-4-2-6-15-13(10)14/h2,4,6,8H,3,5,7H2,1H3,(H,16,20)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]CCCn2nccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.735 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.763
- 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 · 24810803