Molecule card · MolClass #16143
1908186
1908186: 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
- MolClass ID
- 16143
- InChIKey
- CUXIXQSTZGUVJR-UHFFFAOYSA-N
- Canonical SMILES
- c3cnc4nc(c1ccc(cc1)Cl)n(OCc2cccc(c2)Cl)c4(c3)
- Standard InChI
- InChI=1S/C19H13Cl2N3O/c20-15-8-6-14(7-9-15)19-23-18-17(5-2-10-22-18)24(19)25-12-13-3-1-4-16(21)11-13/h1-11H,12H2
- Stored Murcko scaffold
- n1cccc2c1nc(-c3ccccc3)n2OCc4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.233 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.693
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1908186