Molecule card · MolClass #15070
3125027
3125027: 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
- 15070
- InChIKey
- Not recorded
- Canonical SMILES
- CN(CC(=O)Nc2nc1ccc(cc1s2)Cl)S(=O)(=O)c3ccc4NC(=O)CCc4(c3)
- Standard InChI
- null
- Stored Murcko scaffold
- n1cccc2cc(SNC[CH]Nc3nc4ccccc4s3)ccc12
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 133.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 461.925 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.492
- 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 · 3125027