Molecule card · MolClass #17517
1467977
1467977: 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
- MolClass ID
- 17517
- InChIKey
- UYUUNYNVHRTORT-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc2NC(=O)CSc2(c1)
- Standard InChI
- InChI=1S/C10H11NO2S/c1-2-13-7-3-4-8-9(5-7)14-6-10(12)11-8/h3-5H,2,6H2,1H3,(H,11,12)
- Stored Murcko scaffold
- S1c2ccccc2N[CH]C1
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
- 63.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 209.266 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.553
- 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 · 1467977