Molecule card · MolClass #24752
6143-0170
6143-0170: 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
- 6143-0170Compound aggregation · compound_name
- MolClass ID
- 24752
- InChIKey
- RNWQYLOTRLJOFP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)C2Cc4ccccc4(CN2S(=O)(=O)c3ccc(C)cc3)
- Standard InChI
- InChI=1S/C24H24N2O3S/c1-17-7-11-21(12-8-17)25-24(27)23-15-19-5-3-4-6-20(19)16-26(23)30(28,29)22-13-9-18(2)10-14-22/h3-14,23H,15-16H2,1-2H3,(H,25,27)
- Stored Murcko scaffold
- S(c1ccccc1)N2Cc3ccccc3CC2[CH]Nc4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.526 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.381
- 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 · 6143-0170