Molecule card · MolClass #46228
24817887
24817887: 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
- 24817887Mitochondrial Fusion · compound_name
- MolClass ID
- 46228
- InChIKey
- XWHLGXSEXFEBER-UHFFFAOYSA-N
- Canonical SMILES
- CN1C=C(N(C)C1(=O))S(=O)(=O)c2ccccc2
- Standard InChI
- InChI=1S/C11H12N2O3S/c1-12-8-10(13(2)11(12)14)17(15,16)9-6-4-3-5-7-9/h3-8H,1-2H3
- Stored Murcko scaffold
- [N]1[CH][N]C(Sc2ccccc2)=C1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.291 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.684
- 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 · 24817887