Molecule card · MolClass #24861
K783-4231
K783-4231: 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
- K783-4231Compound aggregation · compound_name
- MolClass ID
- 24861
- InChIKey
- VZXQWJKZAFNPBB-UHFFFAOYSA-N
- Canonical SMILES
- OC(=O)c1ccc4c(c1)N(Cc2ccccc2)C(=O)c3ccccc3S4
- Standard InChI
- InChI=1S/C21H15NO3S/c23-20-16-8-4-5-9-18(16)26-19-11-10-15(21(24)25)12-17(19)22(20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)
- Stored Murcko scaffold
- S1c2ccccc2[CH]N(c3ccccc13)Cc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.633
- 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 · K783-4231