Molecule card · MolClass #24979
C436-0207
C436-0207: 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
- C436-0207Compound aggregation · compound_name
- MolClass ID
- 24979
- InChIKey
- RCXATMPYVFVYGY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)c2ccc(cc2)NS(=O)(=O)c3c(C)noc3(C)
- Standard InChI
- InChI=1S/C19H19N3O4S/c1-12-4-8-16(9-5-12)20-19(23)15-6-10-17(11-7-15)22-27(24,25)18-13(2)21-26-14(18)3/h4-11,22H,1-3H3,(H,20,23)
- Stored Murcko scaffold
- n1occ(SNc2ccc(cc2)[CH]Nc3ccccc3)c1
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 385.439 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.217
- 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 · C436-0207