Molecule card · MolClass #24328
0393-0188
0393-0188: 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
- 0393-0188Compound aggregation · compound_name
- MolClass ID
- 24328
- InChIKey
- QHQJGFQRVILUJG-DEDYPNTBSA-N
- Canonical SMILES
- Oc4ccccc4(C=Nn2c3ccccc3(c1ccccc12))
- Standard InChI
- InChI=1S/C19H14N2O/c22-19-12-6-1-7-14(19)13-20-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-13,22H/b20-13+
- Stored Murcko scaffold
- N(=Cc1ccccc1)n2c3ccccc3c4ccccc42
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
- 2
- 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
- 37.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.053
- 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 · 0393-0188