Molecule card · MolClass #38218
24816941
24816941: 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
- 24816941Mitochondrial Fusion · compound_name
- MolClass ID
- 38218
- InChIKey
- SIYFLNPSVXWXGY-UHFFFAOYSA-N
- Canonical SMILES
- O=C1CCN(N1)C(=O)C(Cl)Cl
- Standard InChI
- InChI=1S/C5H6Cl2N2O2/c6-4(7)5(11)9-2-1-3(10)8-9/h4H,1-2H2,(H,8,10)
- Stored Murcko scaffold
- [N]1N[CH]CC1
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.
- ZINC11557391#23750
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 197.019 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.247
- 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 · 24816941