Molecule card · MolClass #47266
24813823
24813823: 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
- 24813823Mitochondrial Fusion · compound_name
- MolClass ID
- 47266
- InChIKey
- PZWWJHVZSVDSEW-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)S(=O)(=O)c3nnn(c2cccc(c2)Cl)c3(N)
- Standard InChI
- InChI=1S/C15H13ClN4O3S/c1-23-12-5-7-13(8-6-12)24(21,22)15-14(17)20(19-18-15)11-4-2-3-10(16)9-11/h2-9H,17H2,1H3
- Stored Murcko scaffold
- n1nn(cc1Sc2ccccc2)-c3ccccc3
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.
- 1984844#17936
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.808 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.583
- 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 · 24813823