Molecule card · MolClass #24852
K284-1926
K284-1926: 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
- K284-1926Compound aggregation · compound_name
- MolClass ID
- 24852
- InChIKey
- WPGGBMVCWKZNHP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC(=O)CSC4=Nc2ccccc2C(=O)N4(Cc3ccco3)
- Standard InChI
- InChI=1S/C22H19N3O3S/c1-15-8-10-16(11-9-15)23-20(26)14-29-22-24-19-7-3-2-6-18(19)21(27)25(22)13-17-5-4-12-28-17/h2-12H,13-14H2,1H3,(H,23,26)
- Stored Murcko scaffold
- N1=C(SC[CH]Nc2ccccc2)N([CH]c3ccccc13)Cc4occc4
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 405.471 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.908
- 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 · K284-1926