Molecule card · MolClass #39558
7968825
7968825: 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
- 7968825Mitochondrial Fusion · compound_name
- MolClass ID
- 39558
- InChIKey
- XLSZSMPHMZYMTA-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c1c(C)nn(c1(C))C(=O)c2cccs2
- Standard InChI
- InChI=1S/C12H12N2O2S/c1-7-11(9(3)15)8(2)14(13-7)12(16)10-5-4-6-17-10/h4-6H,1-3H3
- Stored Murcko scaffold
- n1cccn1[CH]c2sccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 248.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.35
- 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 · 7968825