Molecule card · MolClass #24819
C263-0274
C263-0274: 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
- C263-0274Compound aggregation · compound_name
- MolClass ID
- 24819
- InChIKey
- UJLYJVZMKDOYPP-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nn(c1ccccc1)c(OC(=O)c2ccccc2)c3S(=O)(=O)c4ccccc4
- Standard InChI
- InChI=1S/C23H18N2O4S/c1-17-21(30(27,28)20-15-9-4-10-16-20)22(25(24-17)19-13-7-3-8-14-19)29-23(26)18-11-5-2-6-12-18/h2-16H,1H3
- Stored Murcko scaffold
- n1cc(Sc2ccccc2)c(O[CH]c3ccccc3)n1-c4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.467 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.267
- 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 · C263-0274