Molecule card · MolClass #24990
K284-4933
K284-4933: 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
- K284-4933Compound aggregation · compound_name
- MolClass ID
- 24990
- InChIKey
- XHOYFNUWCBMLAH-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c3cc4OCOc4(cc3(NC(N2(Cc1ccco1))=S))
- Standard InChI
- InChI=1S/C14H10N2O4S/c17-13-9-4-11-12(20-7-19-11)5-10(9)15-14(21)16(13)6-8-2-1-3-18-8/h1-5H,6-7H2,(H,15,21)
- Stored Murcko scaffold
- o1cccc1CN2[CH]Nc3cc4OCOc4cc3[CH]2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.411
- 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 · K284-4933