Molecule card · MolClass #26703
17411074
17411074: 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
- 17411074Antifungal Pump Inhibitors · compound_name17411074Mitochondrial Fusion · compound_name
- MolClass ID
- 26703
- InChIKey
- DNMVATVOBPDINI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1csc(C(=O)O)c1n2cccc2
- Standard InChI
- InChI=1S/C10H9NO2S/c1-7-6-14-9(10(12)13)8(7)11-4-2-3-5-11/h2-6H,1H3,(H,12,13)
- Stored Murcko scaffold
- s1ccc(c1)-n2cccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 207.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.872
- 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 · 17411074
Mitochondrial Fusion
Dataset #19 · 17411074