Molecule card · MolClass #37877
24811037
24811037: 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
- 24811037Mitochondrial Fusion · compound_name
- MolClass ID
- 37877
- InChIKey
- ARNQGGVJMQDMBG-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCC(C(N1)c2ccc(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C11H10ClN3O5/c12-7-2-1-6(5-9(7)15(19)20)11-8(14(17)18)3-4-10(16)13-11/h1-2,5,8,11H,3-4H2,(H,13,16)
- Stored Murcko scaffold
- c1ccc(cc1)C2N[CH]CCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.668 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.948
- 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 · 24811037