Molecule card · MolClass #45988
24819736
24819736: 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
- 24819736Mitochondrial Fusion · compound_name
- MolClass ID
- 45988
- InChIKey
- SOUMEGUWYCUZRB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)C=2CC(CNC(=O)c1ccccc1Cl)ON=2
- Standard InChI
- InChI=1S/C12H11ClN2O4/c13-9-4-2-1-3-8(9)11(16)14-6-7-5-10(12(17)18)15-19-7/h1-4,7H,5-6H2,(H,14,16)(H,17,18)
- Stored Murcko scaffold
- N=1OC(CC1)CN[CH]c2ccccc2
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.
- 24821057#40256
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.68 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.908
- 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 · 24819736