Molecule card · MolClass #44626
14730414
14730414: 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
- 14730414Mitochondrial Fusion · compound_name
- MolClass ID
- 44626
- InChIKey
- FMSUHJDSPXJLBK-NTUHNPAUSA-N
- Canonical SMILES
- CC(CC2(O)(C(=O)Nc1ccccc12))=NO
- Standard InChI
- InChI=1S/C11H12N2O3/c1-7(13-16)6-11(15)8-4-2-3-5-9(8)12-10(11)14/h2-5,15-16H,6H2,1H3,(H,12,14)/b13-7+
- Stored Murcko scaffold
- c1ccc2c(c1)N[CH]C2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 220.225 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.789
- 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 · 14730414