Molecule card · MolClass #39163
7969795
7969795: 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
- 7969795Mitochondrial Fusion · compound_name
- MolClass ID
- 39163
- InChIKey
- AXZBUUVLKXESTB-UHFFFAOYSA-N
- Canonical SMILES
- CN1C=C(C(=O)N(C)C1(=O))S(=O)(=O)NCc2ccco2
- Standard InChI
- InChI=1S/C11H13N3O5S/c1-13-7-9(10(15)14(2)11(13)16)20(17,18)12-6-8-4-3-5-19-8/h3-5,7,12H,6H2,1-2H3
- Stored Murcko scaffold
- n1cncc(SNCc2occc2)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
- 7
- 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
- 108.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.951
- 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 · 7969795