Molecule card · MolClass #24826
C324-3076
C324-3076: 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
- C324-3076Compound aggregation · compound_name
- MolClass ID
- 24826
- InChIKey
- ZZXFNSKTWRXPJF-UHFFFAOYSA-N
- Canonical SMILES
- CCCCC(CC)CNS(=O)(=O)c2ccc1c(CCN1(C(=O)CC))c2
- Standard InChI
- InChI=1S/C19H30N2O3S/c1-4-7-8-15(5-2)14-20-25(23,24)17-9-10-18-16(13-17)11-12-21(18)19(22)6-3/h9-10,13,15,20H,4-8,11-12,14H2,1-3H3
- Stored Murcko scaffold
- [N]1c2ccccc2CC1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.52 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.72
- 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 · C324-3076