Molecule card · MolClass #41891
4254915
4254915: 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
- 4254915Mitochondrial Fusion · compound_name
- MolClass ID
- 41891
- InChIKey
- CXEIPEUGEOAESW-UHFFFAOYSA-N
- Canonical SMILES
- CS(=O)(=O)c2nncn2(c1ccccc1)
- Standard InChI
- InChI=1S/C9H9N3O2S/c1-15(13,14)9-11-10-7-12(9)8-5-3-2-4-6-8/h2-7H,1H3
- Stored Murcko scaffold
- n1ncn(c1)-c2ccccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 223.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.45
- 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 · 4254915