Molecule card · MolClass #24862
K783-4948
K783-4948: 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
- K783-4948Compound aggregation · compound_name
- MolClass ID
- 24862
- InChIKey
- LZIGNWNAVPGLTG-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)Sc2cc(C(=O)O)c3ccccc3(n2)
- Standard InChI
- InChI=1S/C18H15NO2S/c1-2-12-7-9-13(10-8-12)22-17-11-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-11H,2H2,1H3,(H,20,21)
- Stored Murcko scaffold
- n1c(Sc2ccccc2)ccc3ccccc13
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.925
- 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 · K783-4948