Molecule card · MolClass #24809
C224-2833
C224-2833: 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
- C224-2833Compound aggregation · compound_name
- MolClass ID
- 24809
- InChIKey
- GFHZRKXFCDXGGD-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)NC(=O)CNS(=O)(=O)c2ccc(Br)s2
- Standard InChI
- InChI=1S/C14H15BrN2O3S2/c1-2-10-3-5-11(6-4-10)17-13(18)9-16-22(19,20)14-8-7-12(15)21-14/h3-8,16H,2,9H2,1H3,(H,17,18)
- Stored Murcko scaffold
- s1cccc1SNC[CH]Nc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 403.317 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.995
- 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.
Compound aggregation
Dataset #16 · C224-2833