Molecule card · MolClass #24351
0326-0520
0326-0520: 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
- 0326-0520Compound aggregation · compound_name
- MolClass ID
- 24351
- InChIKey
- NEUALXKGDKXUIK-UHFFFAOYSA-N
- Canonical SMILES
- Oc3ccc1ccccc1c3(C=C2C(=O)NC(=O)NC2(=O))
- Standard InChI
- InChI=1S/C15H10N2O4/c18-12-6-5-8-3-1-2-4-9(8)10(12)7-11-13(19)16-15(21)17-14(11)20/h1-7,18H,(H2,16,17,19,20,21)
- Stored Murcko scaffold
- c1ccc2c(c1)cccc2C=C3[CH]N[CH]N[CH]3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.251 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.552
- 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 · 0326-0520