Molecule card · MolClass #26774
24821048
24821048: 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
- 24821048Antifungal Pump Inhibitors · compound_name24821048Mitochondrial Fusion · compound_name
- MolClass ID
- 26774
- InChIKey
- SLGBOHNLOQTEGF-UHFFFAOYSA-N
- Canonical SMILES
- CN(CCc1nnc(N)s1)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C5H9N5O2S/c1-9(10(11)12)3-2-4-7-8-5(6)13-4/h2-3H2,1H3,(H2,6,8)
- Stored Murcko scaffold
- n1ncsc1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 203.224 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.412
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 24821048
Mitochondrial Fusion
Dataset #19 · 24821048