Molecule card · MolClass #15459
1919852
1919852: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7973747Mitochondrial Fusion · compound_name
- MolClass ID
- 15459
- InChIKey
- AMCACGRZXWSTFB-RMKNXTFCSA-N
- Canonical SMILES
- C=CCNS(=O)(=O)c1c(ccs1)C=NO
- Standard InChI
- InChI=1S/C8H10N2O3S2/c1-2-4-10-15(12,13)8-7(6-9-11)3-5-14-8/h2-3,5-6,10-11H,1,4H2/b9-6+
- Stored Murcko scaffold
- s1cccc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.197
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1919852
Mitochondrial Fusion
Dataset #19 · 7973747