Molecule card · MolClass #14663
3024228
3024228: 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
- 848202Mitochondrial Fusion · compound_name
- MolClass ID
- 14663
- InChIKey
- UDWXYXQXJKJTOZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc2ncnn2(c(O)c1(NS(C)(=O)=O))
- Standard InChI
- InChI=1S/C7H9N5O3S/c1-4-5(11-16(2,14)15)6(13)12-7(10-4)8-3-9-12/h3,11,13H,1-2H3
- Stored Murcko scaffold
- n1cnn2cccnc12
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.02
- 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 · 3024228
Mitochondrial Fusion
Dataset #19 · 848202