Molecule card · MolClass #42546
24786921
24786921: 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
- 24786921Mitochondrial Fusion · compound_name
- MolClass ID
- 42546
- InChIKey
- DWRZUXBYWJELKS-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cccc(C(=O)NNS(=O)(=O)c1ccccc1)c2(O)
- Standard InChI
- InChI=1S/C14H14N2O4S/c1-10-6-5-9-12(13(10)17)14(18)15-16-21(19,20)11-7-3-2-4-8-11/h2-9,16-17H,1H3,(H,15,18)
- Stored Murcko scaffold
- S(NN[CH]c1ccccc1)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.339 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.528
- 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 · 24786921