Molecule card · MolClass #47994
24815778
24815778: 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
- 24815778Mitochondrial Fusion · compound_name
- MolClass ID
- 47994
- InChIKey
- DEJJJZBEMWXFHY-UHFFFAOYSA-N
- Canonical SMILES
- N=C(NCCc1ccccc1)NS(=O)(=O)c2cccs2
- Standard InChI
- InChI=1S/C13H15N3O2S2/c14-13(15-9-8-11-5-2-1-3-6-11)16-20(17,18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H3,14,15,16)
- Stored Murcko scaffold
- s1cccc1SN[CH]NCCc2ccccc2
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.
- 24816010#32623
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 118.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.41 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.257
- 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 · 24815778