Molecule card · MolClass #24827
C325-0261
C325-0261: 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
- C325-0261Compound aggregation · compound_name
- MolClass ID
- 24827
- InChIKey
- YBSAXTJBTPORNO-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccccc4(Nc2c(nc1ncccn12)c3ccc(O)cc3)
- Standard InChI
- InChI=1S/C19H16N4O/c1-13-5-2-3-6-16(13)21-18-17(14-7-9-15(24)10-8-14)22-19-20-11-4-12-23(18)19/h2-12,21,24H,1H3
- Stored Murcko scaffold
- n1cccn2c1nc(-c3ccccc3)c2Nc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.357 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.32
- 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 · C325-0261