Molecule card · MolClass #48681
24836644
24836644: 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
- 24836644Mitochondrial Fusion · compound_name
- MolClass ID
- 48681
- InChIKey
- QXXGOAVXLDVUSM-UHFFFAOYSA-N
- Canonical SMILES
- CN(C(=O)COC(=O)c1nc(c(c(c1Cl)Cl)Cl)Cl)C2CCS(=O)(=O)C2
- Standard InChI
- InChI=1S/C13H12Cl4N2O5S/c1-19(6-2-3-25(22,23)5-6)7(20)4-24-13(21)11-9(15)8(14)10(16)12(17)18-11/h6H,2-5H2,1H3
- Stored Murcko scaffold
- n1ccccc1[CH]OC[CH][N]C2CSCC2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 450.123 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.621
- 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 · 24836644