Molecule card · MolClass #38282
24782295
24782295: 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
- 24782295Mitochondrial Fusion · compound_name
- MolClass ID
- 38282
- InChIKey
- KAELMYGEWHEWBH-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1ccc(cc1)C2NC(=O)CCC2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H18N2O3/c1-9(2)10-3-5-11(6-4-10)14-12(16(18)19)7-8-13(17)15-14/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,17)
- 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
- 72.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.839
- 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 · 24782295